N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide

C18H16ClN3O — CID 17028771

IUPACN-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(C2CC2)nc2ccccc21)Nc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O/c19-13-5-1-2-6-14(13)20-17(23)11-22-16-8-4-3-7-15(16)21-18(22)12-9-10-12/h1-8,12H,9-11H2,(H,20,23)
InChIKeyRBZBKHFYPRRYBO-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.21
Rot. Bonds4

About N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide

N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide (PubChem CID 17028771) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
PubChem CID17028771
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(C2CC2)nc2ccccc21)Nc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O/c19-13-5-1-2-6-14(13)20-17(23)11-22-16-8-4-3-7-15(16)21-18(22)12-9-10-12/h1-8,12H,9-11H2,(H,20,23)
InChIKeyRBZBKHFYPRRYBO-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 86970901
N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033270
2-(2-cyclohexylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028725
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4779873
N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 134025315
(3R)-3-(2-chlorophenyl)-3-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]propanoic acid
CID 97233557
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
2-(2-cyclopropylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17028781
2-(2-cyclopropylbenzimidazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 56822779
2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131941468
2-chloro-N-[1-[1-[2-(2-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029834

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide (CID 17028771) is N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide is O=C(Cn1c(C2CC2)nc2ccccc21)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
The InChIKey is RBZBKHFYPRRYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-13-5-1-2-6-14(13)20-17(23)11-22-16-8-4-3-7-15(16)21-18(22)12-9-10-12/h1-8,12H,9-11H2,(H,20,23).
What are the key properties of N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide has a molecular weight of 325.80 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17028771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).