N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C15H16ClN3O — CID 90640414

IUPACN-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)Nc1ccc(Cl)cc1)CC2
InChIInChI=1S/C15H16ClN3O/c1-9-17-13-7-2-10(8-14(13)18-9)15(20)19-12-5-3-11(16)4-6-12/h3-6,10H,2,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyNYKMJZZFVFDFBU-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.12
Rot. Bonds2

About N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640414) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640414
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)Nc1ccc(Cl)cc1)CC2
InChIInChI=1S/C15H16ClN3O/c1-9-17-13-7-2-10(8-14(13)18-9)15(20)19-12-5-3-11(16)4-6-12/h3-6,10H,2,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyNYKMJZZFVFDFBU-UHFFFAOYSA-N
XLogP3.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425
N-(3-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640413
N-(5-chloro-2-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640483
N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640412
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640541
N-(3-acetylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640439
methyl 2-(4-chlorophenyl)-2-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)amino]acetate
CID 90640656
2-methyl-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640528
2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628425
N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640558
N-(2,3-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640466
(5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100665169

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640414) is N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)Nc1ccc(Cl)cc1)CC2.
What is the InChIKey of N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is NYKMJZZFVFDFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-17-13-7-2-10(8-14(13)18-9)15(20)19-12-5-3-11(16)4-6-12/h3-6,10H,2,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).