2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide

C100H98N28O7 — CID 161380156

IUPAC2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide
SMILESCc1noc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)c1C.Cn1ccc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)n1.Cn1cnc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)c1.Cn1nccc1NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21.O=C(Cn1c(NCc2ccccc2)nc2ccccc21)Nc1cnoc1
InChIInChI=1S/C21H21N5O2.3C20H20N6O.C19H17N5O2/c1-14-15(2)25-28-20(14)24-19(27)13-26-18-11-7-6-10-17(18)23-21(26)22-12-16-8-4-3-5-9-16;1-25-12-18(22-14-25)24-19(27)13-26-17-10-6-5-9-16(17)23-20(26)21-11-15-7-3-2-4-8-15;1-25-12-11-18(24-25)23-19(27)14-26-17-10-6-5-9-16(17)22-20(26)21-13-15-7-3-2-4-8-15;1-25-18(11-12-22-25)24-19(27)14-26-17-10-6-5-9-16(17)23-20(26)21-13-15-7-3-2-4-8-15;25-18(22-15-11-21-26-13-15)12-24-17-9-5-4-8-16(17)23-19(24)20-10-14-6-2-1-3-7-14/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,27);2-10,12,14H,11,13H2,1H3,(H,21,23)(H,24,27);2-12H,13-14H2,1H3,(H,21,22)(H,23,24,27);2-12H,13-14H2,1H3,(H,21,23)(H,24,27);1-9,11,13H,10,12H2,(H,20,23)(H,22,25)
InChIKeyVRPQNIYHRCRFHO-UHFFFAOYSA-N
MW1804.07 g/mol
LogP16.23
Rot. Bonds30

About 2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide

2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide (PubChem CID 161380156) has the molecular formula C100H98N28O7 and a molecular weight of 1804.07 g/mol. Its IUPAC name is 2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide
PubChem CID161380156
Molecular FormulaC100H98N28O7
Molecular Weight1804.07 g/mol
Exact Mass1802.82
IUPAC Name2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide
SMILESCc1noc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)c1C.Cn1ccc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)n1.Cn1cnc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)c1.Cn1nccc1NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21.O=C(Cn1c(NCc2ccccc2)nc2ccccc21)Nc1cnoc1
InChIInChI=1S/C21H21N5O2.3C20H20N6O.C19H17N5O2/c1-14-15(2)25-28-20(14)24-19(27)13-26-18-11-7-6-10-17(18)23-21(26)22-12-16-8-4-3-5-9-16;1-25-12-18(22-14-25)24-19(27)13-26-17-10-6-5-9-16(17)23-20(26)21-11-15-7-3-2-4-8-15;1-25-12-11-18(24-25)23-19(27)14-26-17-10-6-5-9-16(17)22-20(26)21-13-15-7-3-2-4-8-15;1-25-18(11-12-22-25)24-19(27)14-26-17-10-6-5-9-16(17)23-20(26)21-13-15-7-3-2-4-8-15;25-18(22-15-11-21-26-13-15)12-24-17-9-5-4-8-16(17)23-19(24)20-10-14-6-2-1-3-7-14/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,27);2-10,12,14H,11,13H2,1H3,(H,21,23)(H,24,27);2-12H,13-14H2,1H3,(H,21,22)(H,23,24,27);2-12H,13-14H2,1H3,(H,21,23)(H,24,27);1-9,11,13H,10,12H2,(H,20,23)(H,22,25)
InChIKeyVRPQNIYHRCRFHO-UHFFFAOYSA-N
XLogP16.23
TPSA400.27 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001804.07
LogP ≤ 516.23
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide with MolForge

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Related Compounds

2-[2-(benzylamino)benzimidazol-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxyethyl)-N-methylacetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-pyridazin-4-ylacetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-(trifluoromethoxy)ethyl]acetamide
CID 160029199
3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide
CID 161386281
5-cyclohexyl-3-(1-methylpyrrol-3-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrrol-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrrol-3-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157658903
3-methyl-5-[(3-phenylindazol-1-yl)methyl]-1,2-oxazole;1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole;1-[(1-methyltriazol-4-yl)methyl]-3-phenylindazole;1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-phenylindazole;3-phenyl-1-(2H-triazol-4-ylmethyl)indazole
CID 158980504
3-methyl-5-[(3-phenylindazol-1-yl)methyl]-1,2-oxazole;1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole;1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-phenylindazole;3-phenyl-1-(2H-triazol-4-ylmethyl)indazole
CID 160118657
3-methyl-5-[(3-phenylindazol-1-yl)methyl]-1,2-oxazole;1-[(2-methyltetrazol-5-yl)methyl]-3-phenylindazole;1-[(1-methyltriazol-4-yl)methyl]-3-phenylindazole;1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-phenylindazole;3-phenyl-1-(3H-pyrazol-5-ylmethyl)indazole
CID 160645179

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide?
The IUPAC name of 2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide (CID 161380156) is 2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for 2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide?
The canonical SMILES for 2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide is Cc1noc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)c1C.Cn1ccc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)n1.Cn1cnc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)c1.Cn1nccc1NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21.O=C(Cn1c(NCc2ccccc2)nc2ccccc21)Nc1cnoc1.
What is the InChIKey of 2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide?
The InChIKey is VRPQNIYHRCRFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2.3C20H20N6O.C19H17N5O2/c1-14-15(2)25-28-20(14)24-19(27)13-26-18-11-7-6-10-17(18)23-21(26)22-12-16-8-4-3-5-9-16;1-25-12-18(22-14-25)24-19(27)13-26-17-10-6-5-9-16(17)23-20(26)21-11-15-7-3-2-4-8-15;1-25-12-11-18(24-25)23-19(27)14-26-17-10-6-5-9-16(17)22-20(26)21-13-15-7-3-2-4-8-15;1-25-18(11-12-22-25)24-19(27)14-26-17-10-6-5-9-16(17)23-20(26)21-13-15-7-3-2-4-8-15;25-18(22-15-11-21-26-13-15)12-24-17-9-5-4-8-16(17)23-19(24)20-10-14-6-2-1-3-7-14/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,27);2-10,12,14H,11,13H2,1H3,(H,21,23)(H,24,27);2-12H,13-14H2,1H3,(H,21,22)(H,23,24,27);2-12H,13-14H2,1H3,(H,21,23)(H,24,27);1-9,11,13H,10,12H2,(H,20,23)(H,22,25).
What are the key properties of 2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide?
2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide has a molecular weight of 1804.07 g/mol, XLogP of 16.23, 30 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylamino)benzimidazol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylimidazol-4-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methylpyrazol-3-yl)acetamide;2-[2-(benzylamino)benzimidazol-1-yl]-N-(1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 161380156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).