N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide

C16H14ClN3O — CID 106509697

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C16H14ClN3O/c1-10-6-7-11(12(17)8-10)16(21)18-9-15-19-13-4-2-3-5-14(13)20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyQMINDPDFBODGOH-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.45
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide (PubChem CID 106509697) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
PubChem CID106509697
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C16H14ClN3O/c1-10-6-7-11(12(17)8-10)16(21)18-9-15-19-13-4-2-3-5-14(13)20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyQMINDPDFBODGOH-UHFFFAOYSA-N
XLogP3.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
CID 78769893
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide
CID 105055625
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
CID 146022195
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292714
N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 5297506
N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 17410884
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-2-nitrobenzamide
CID 18105058
N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide
CID 103854329
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-methylsulfanylbenzamide
CID 134018137

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide (CID 106509697) is N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)c(Cl)c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide?
The InChIKey is QMINDPDFBODGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-6-7-11(12(17)8-10)16(21)18-9-15-19-13-4-2-3-5-14(13)20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide has a molecular weight of 299.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106509697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).