2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide

C19H20ClN3O — CID 17032527

IUPAC2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H20ClN3O/c1-13(2)21-19(24)12-23-17-6-4-3-5-16(17)22-18(23)11-14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyMKHBBEADGUFMNH-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.81
Rot. Bonds5

About 2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide

2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 17032527) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID17032527
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H20ClN3O/c1-13(2)21-19(24)12-23-17-6-4-3-5-16(17)22-18(23)11-14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyMKHBBEADGUFMNH-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032560
2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
CID 17032336
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 17032534
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110882950
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 115471116
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 43667741
2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 18878404
N-[[1-[2-(butan-2-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029539
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide (CID 17032527) is 2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is MKHBBEADGUFMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-13(2)21-19(24)12-23-17-6-4-3-5-16(17)22-18(23)11-14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 341.84 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 17032527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).