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

C15H16ClN3O — CID 90640412

IUPACN-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)Nc1ccccc1Cl)CC2
InChIInChI=1S/C15H16ClN3O/c1-9-17-13-7-6-10(8-14(13)18-9)15(20)19-12-5-3-2-4-11(12)16/h2-5,10H,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyKCPOHCQJINEMAI-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.12
Rot. Bonds2

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

N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640412) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640412
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)Nc1ccccc1Cl)CC2
InChIInChI=1S/C15H16ClN3O/c1-9-17-13-7-6-10(8-14(13)18-9)15(20)19-12-5-3-2-4-11(12)16/h2-5,10H,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyKCPOHCQJINEMAI-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-(2-carbamoylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640444
N-(2,3-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640466
N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640414
N-(5-chloro-2-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640483
N-(3-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640413
N-(2-chlorophenyl)-2-[4-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)piperazin-1-yl]acetamide
CID 75452018
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 167847284
2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628425
N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425
N-(3-acetylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640439
2-methyl-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640528
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640541

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640412) is N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)Nc1ccccc1Cl)CC2.
What is the InChIKey of N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is KCPOHCQJINEMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-17-13-7-6-10(8-14(13)18-9)15(20)19-12-5-3-2-4-11(12)16/h2-5,10H,6-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(2-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-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).