2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide

C19H20ClN3O — CID 17007409

IUPAC2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
SMILESCC(C)Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C19H20ClN3O/c1-13(2)12-23-17-10-6-5-9-16(17)22-18(23)11-21-19(24)14-7-3-4-8-15(14)20/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyAEXNWKMELLEDNP-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.28
Rot. Bonds5

About 2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide

2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007409) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID17007409
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
SMILESCC(C)Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C19H20ClN3O/c1-13(2)12-23-17-10-6-5-9-16(17)22-18(23)11-21-19(24)14-7-3-4-8-15(14)20/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyAEXNWKMELLEDNP-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17006775
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
2-chloro-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976035
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007545
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide
CID 17007549
2-chloro-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]benzamide
CID 17007455
2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993644
2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007500
2-chloro-N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029427
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide (CID 17007409) is 2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide is CC(C)Cn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is AEXNWKMELLEDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-13(2)12-23-17-10-6-5-9-16(17)22-18(23)11-21-19(24)14-7-3-4-8-15(14)20/h3-10,13H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide?
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 341.84 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).