2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone

C22H15ClN2O2 — CID 51032263

IUPAC2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
SMILESO=C(Cn1c(C(=O)c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C22H15ClN2O2/c23-17-12-10-16(11-13-17)21(27)22-24-18-8-4-5-9-19(18)25(22)14-20(26)15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyBIPASWBDOWJZQE-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.80
Rot. Bonds5

About 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone

2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone (PubChem CID 51032263) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
PubChem CID51032263
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
SMILESO=C(Cn1c(C(=O)c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C22H15ClN2O2/c23-17-12-10-16(11-13-17)21(27)22-24-18-8-4-5-9-19(18)25(22)14-20(26)15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyBIPASWBDOWJZQE-UHFFFAOYSA-N
XLogP4.80
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46288978
1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone
CID 23847688
[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone
CID 3059108
N-[[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007398
1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone
CID 19243714
1-phenacylbenzimidazole-2-sulfonic acid
CID 142758042
1-(4-chlorophenyl)-2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997817
1-(4-chlorophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997569
(E)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one
CID 6260079
1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
CID 16767176
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone (CID 51032263) is 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone is O=C(Cn1c(C(=O)c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone?
The InChIKey is BIPASWBDOWJZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-17-12-10-16(11-13-17)21(27)22-24-18-8-4-5-9-19(18)25(22)14-20(26)15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone?
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone has a molecular weight of 374.83 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone is sourced from PubChem (CID 51032263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).