[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen

C98H120N28O4 — CID 158029577

IUPAC[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen
SMILESCc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCCN(C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCNCC5)cc4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H29N7O.C25H27N7O.C24H25N7O.C23H23N7O.8H2/c1-16-4-9-20-21(14-16)31-25(30-20)23-24(27)28-15-22(29-23)17-5-7-18(8-6-17)26(34)33-12-10-19(11-13-33)32(2)3;1-16-4-9-19-20(14-16)30-24(29-19)22-23(26)27-15-21(28-22)17-5-7-18(8-6-17)25(33)32-11-3-10-31(2)12-13-32;1-15-3-8-18-19(13-15)29-23(28-18)21-22(25)26-14-20(27-21)16-4-6-17(7-5-16)24(32)31-11-9-30(2)10-12-31;1-14-2-7-17-18(12-14)29-22(28-17)20-21(24)26-13-19(27-20)15-3-5-16(6-4-15)23(31)30-10-8-25-9-11-30;;;;;;;;/h4-9,14-15,19H,10-13H2,1-3H3,(H2,27,28)(H,30,31);4-9,14-15H,3,10-13H2,1-2H3,(H2,26,27)(H,29,30);3-8,13-14H,9-12H2,1-2H3,(H2,25,26)(H,28,29);2-7,12-13,25H,8-11H2,1H3,(H2,24,26)(H,28,29);8*1H
InChIKeyFHACKKNNOPYYQO-UHFFFAOYSA-N
MW1754.23 g/mol
LogP14.65
Rot. Bonds13

About [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen

[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen (PubChem CID 158029577) has the molecular formula C98H120N28O4 and a molecular weight of 1754.23 g/mol. Its IUPAC name is [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen.

Molecular Properties

Compound Name[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen
PubChem CID158029577
Molecular FormulaC98H120N28O4
Molecular Weight1754.23 g/mol
Exact Mass1753.00
IUPAC Name[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen
SMILESCc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCCN(C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCNCC5)cc4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H29N7O.C25H27N7O.C24H25N7O.C23H23N7O.8H2/c1-16-4-9-20-21(14-16)31-25(30-20)23-24(27)28-15-22(29-23)17-5-7-18(8-6-17)26(34)33-12-10-19(11-13-33)32(2)3;1-16-4-9-19-20(14-16)30-24(29-19)22-23(26)27-15-21(28-22)17-5-7-18(8-6-17)25(33)32-11-3-10-31(2)12-13-32;1-15-3-8-18-19(13-15)29-23(28-18)21-22(25)26-14-20(27-21)16-4-6-17(7-5-16)24(32)31-11-9-30(2)10-12-31;1-14-2-7-17-18(12-14)29-22(28-17)20-21(24)26-13-19(27-20)15-3-5-16(6-4-15)23(31)30-10-8-25-9-11-30;;;;;;;;/h4-9,14-15,19H,10-13H2,1-3H3,(H2,27,28)(H,30,31);4-9,14-15H,3,10-13H2,1-2H3,(H2,26,27)(H,29,30);3-8,13-14H,9-12H2,1-2H3,(H2,25,26)(H,28,29);2-7,12-13,25H,8-11H2,1H3,(H2,24,26)(H,28,29);8*1H
InChIKeyFHACKKNNOPYYQO-UHFFFAOYSA-N
XLogP14.65
TPSA424.91 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001754.23
LogP ≤ 514.65
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
CID 58344941
4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]benzamide
CID 44308543
4-[[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]-N-[4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl]phenyl]benzamide
CID 44387457
4-[[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]benzamide
CID 44387459
N-benzyl-2-(2-methyl-4-pyridinyl)-3-[1-(4-phenylbenzoyl)piperidin-4-yl]benzimidazole-5-carboxamide
CID 44529323
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]tridecanediamide
CID 145970174
[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 154700410
[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 156202319
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]undecanediamide
CID 145968592
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]heptanediamide
CID 145968838
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]propanediamide
CID 145969953
N,N'-bis[[6-[6-[3-(dimethylamino)propylcarbamoyl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl]nonanediamide
CID 145970833

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen?
The IUPAC name of [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen (CID 158029577) is [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen.
What is the SMILES notation for [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen?
The canonical SMILES for [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen is Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCCN(C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(-c4ccc(C(=O)N5CCNCC5)cc4)cnc3N)[nH]c2c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen?
The InChIKey is FHACKKNNOPYYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O.C25H27N7O.C24H25N7O.C23H23N7O.8H2/c1-16-4-9-20-21(14-16)31-25(30-20)23-24(27)28-15-22(29-23)17-5-7-18(8-6-17)26(34)33-12-10-19(11-13-33)32(2)3;1-16-4-9-19-20(14-16)30-24(29-19)22-23(26)27-15-21(28-22)17-5-7-18(8-6-17)25(33)32-11-3-10-31(2)12-13-32;1-15-3-8-18-19(13-15)29-23(28-18)21-22(25)26-14-20(27-21)16-4-6-17(7-5-16)24(32)31-11-9-30(2)10-12-31;1-14-2-7-17-18(12-14)29-22(28-17)20-21(24)26-13-19(27-20)15-3-5-16(6-4-15)23(31)30-10-8-25-9-11-30;;;;;;;;/h4-9,14-15,19H,10-13H2,1-3H3,(H2,27,28)(H,30,31);4-9,14-15H,3,10-13H2,1-2H3,(H2,26,27)(H,29,30);3-8,13-14H,9-12H2,1-2H3,(H2,25,26)(H,28,29);2-7,12-13,25H,8-11H2,1H3,(H2,24,26)(H,28,29);8*1H.
What are the key properties of [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen?
[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen has a molecular weight of 1754.23 g/mol, XLogP of 14.65, 13 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;molecular hydrogen is sourced from PubChem (CID 158029577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).