1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide

C26H24N8O2 — CID 44580014

IUPAC1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide
SMILESCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C26H24N8O2/c1-33(16-19-11-13-20(14-12-19)24-29-31-32-30-24)23(35)15-27-26(36)25-28-21-9-5-6-10-22(21)34(25)17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,27,36)(H,29,30,31,32)
InChIKeyAKBYZCKEGIWISE-UHFFFAOYSA-N
MW480.53 g/mol
LogP2.65
Rot. Bonds8

About 1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide

1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide (PubChem CID 44580014) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide
PubChem CID44580014
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide
SMILESCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C26H24N8O2/c1-33(16-19-11-13-20(14-12-19)24-29-31-32-30-24)23(35)15-27-26(36)25-28-21-9-5-6-10-22(21)34(25)17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,27,36)(H,29,30,31,32)
InChIKeyAKBYZCKEGIWISE-UHFFFAOYSA-N
XLogP2.65
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide with MolForge

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Related Compounds

methyl 4-[[[2-[(1-benzylbenzimidazole-2-carbonyl)amino]acetyl]-methylamino]methyl]-6-methylcyclohexa-2,4-diene-1-carboxylate
CID 71120928
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CID 16971531
2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 91785545
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987485
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979045
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide
CID 16979531
N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971693
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996582
N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498034
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989409
4-[[[2-(2-ethylbenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38746243
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide (CID 44580014) is 1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide is CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide?
The InChIKey is AKBYZCKEGIWISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O2/c1-33(16-19-11-13-20(14-12-19)24-29-31-32-30-24)23(35)15-27-26(36)25-28-21-9-5-6-10-22(21)34(25)17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,27,36)(H,29,30,31,32).
What are the key properties of 1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide?
1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide is sourced from PubChem (CID 44580014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).