3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone

C24H27N5O — CID 126494110

IUPAC3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cc2[nH]cnc2cc1[C@]1(C)CCN(C(=O)c2ccc3nc[nH]c3c2)[C@H](C)[C@H]1C
InChIInChI=1S/C24H27N5O/c1-14-9-20-22(28-13-26-20)11-18(14)24(4)7-8-29(16(3)15(24)2)23(30)17-5-6-19-21(10-17)27-12-25-19/h5-6,9-13,15-16H,7-8H2,1-4H3,(H,25,27)(H,26,28)/t15-,16-,24-/m1/s1
InChIKeyMZUDFZZCFZUCSB-DQIAKBPPSA-N
MW401.51 g/mol
LogP4.58
Rot. Bonds2

About 3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone (PubChem CID 126494110) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone
PubChem CID126494110
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cc2[nH]cnc2cc1[C@]1(C)CCN(C(=O)c2ccc3nc[nH]c3c2)[C@H](C)[C@H]1C
InChIInChI=1S/C24H27N5O/c1-14-9-20-22(28-13-26-20)11-18(14)24(4)7-8-29(16(3)15(24)2)23(30)17-5-6-19-21(10-17)27-12-25-19/h5-6,9-13,15-16H,7-8H2,1-4H3,(H,25,27)(H,26,28)/t15-,16-,24-/m1/s1
InChIKeyMZUDFZZCFZUCSB-DQIAKBPPSA-N
XLogP4.58
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

ethyl (9S)-10-(3H-benzimidazole-5-carbonyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 126482332
ethyl (1R,9R,13S)-10-(3H-benzimidazole-5-carbonyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 66985118
(1R,13S)-10-(3H-benzimidazole-5-carbonyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carbonitrile
CID 143805302
3H-benzimidazol-5-yl-[(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
CID 67344805
3H-benzimidazol-5-yl-[(1R,9R,13S)-1,13-dimethyl-4-(1,2,4-oxadiazol-3-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methanone
CID 58374979
4-[(1R,9R,13S)-10-(3H-benzimidazole-5-carbonyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1-methylpyridin-2-one
CID 67345457
6-[(1R,13S)-10-(3H-benzimidazole-5-carbonyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-2-methylpyridazin-3-one
CID 126494224
3H-benzimidazol-5-yl-(1,6,7,17,17-pentamethyl-5,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaen-14-yl)methanone
CID 77270676
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
3H-benzimidazol-5-yl-[(1S,13R)-1,6,17,17-tetramethyl-5,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaen-14-yl]methanone
CID 67344629
10-(3H-benzimidazole-5-carbonyl)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-5-carboxylic acid
CID 67346123
(1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl)-[3-(methylamino)-4-(methylideneamino)phenyl]methanone
CID 143805241

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone (CID 126494110) is 3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone is Cc1cc2[nH]cnc2cc1[C@]1(C)CCN(C(=O)c2ccc3nc[nH]c3c2)[C@H](C)[C@H]1C.
What is the InChIKey of 3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is MZUDFZZCFZUCSB-DQIAKBPPSA-N. The full InChI is InChI=1S/C24H27N5O/c1-14-9-20-22(28-13-26-20)11-18(14)24(4)7-8-29(16(3)15(24)2)23(30)17-5-6-19-21(10-17)27-12-25-19/h5-6,9-13,15-16H,7-8H2,1-4H3,(H,25,27)(H,26,28)/t15-,16-,24-/m1/s1.
What are the key properties of 3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 401.51 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[(2R,3S,4R)-2,3,4-trimethyl-4-(6-methyl-1H-benzimidazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126494110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).