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

C20H22ClN3O — CID 16976029

IUPAC2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H22ClN3O/c1-14(2)13-24-18-10-6-5-9-17(18)23-19(24)11-12-22-20(25)15-7-3-4-8-16(15)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)
InChIKeyXKFMSQIFTDSLMF-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.32
Rot. Bonds6

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

2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16976029) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16976029
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H22ClN3O/c1-14(2)13-24-18-10-6-5-9-17(18)23-19(24)11-12-22-20(25)15-7-3-4-8-16(15)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)
InChIKeyXKFMSQIFTDSLMF-UHFFFAOYSA-N
XLogP4.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976035
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409
2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide
CID 16976181
2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056
2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976156
2-fluoro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989918
2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976138
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984560
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975895
2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993644
N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 75357001

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide (CID 16976029) is 2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide is CC(C)Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is XKFMSQIFTDSLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-14(2)13-24-18-10-6-5-9-17(18)23-19(24)11-12-22-20(25)15-7-3-4-8-16(15)21/h3-10,14H,11-13H2,1-2H3,(H,22,25).
What are the key properties of 2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide?
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 355.87 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16976029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).