N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide

C20H20N6O — CID 42197037

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccccc1Cn1cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)nn1
InChIInChI=1S/C20H20N6O/c1-13-7-3-4-8-15(13)11-26-12-18(24-25-26)20(27)21-14(2)19-22-16-9-5-6-10-17(16)23-19/h3-10,12,14H,11H2,1-2H3,(H,21,27)(H,22,23)/t14-/m1/s1
InChIKeyKCOOHELMPOLYLN-CQSZACIVSA-N
MW360.42 g/mol
LogP3.00
Rot. Bonds5

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide (PubChem CID 42197037) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
PubChem CID42197037
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccccc1Cn1cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)nn1
InChIInChI=1S/C20H20N6O/c1-13-7-3-4-8-15(13)11-26-12-18(24-25-26)20(27)21-14(2)19-22-16-9-5-6-10-17(16)23-19/h3-10,12,14H,11H2,1-2H3,(H,21,27)(H,22,23)/t14-/m1/s1
InChIKeyKCOOHELMPOLYLN-CQSZACIVSA-N
XLogP3.00
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60664275
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 71879454
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 47120283
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 61067307
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 73419908
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 55445770
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 18116353
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide (CID 42197037) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide is Cc1ccccc1Cn1cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)nn1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is KCOOHELMPOLYLN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-7-3-4-8-15(13)11-26-12-18(24-25-26)20(27)21-14(2)19-22-16-9-5-6-10-17(16)23-19/h3-10,12,14H,11H2,1-2H3,(H,21,27)(H,22,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 42197037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).