1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone

C16H15ClN2O2 — CID 57270653

IUPAC1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone
SMILESCC(=O)N1c2c(ccc(Cl)c2O)NC1Cc1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-10(20)19-14(9-11-5-3-2-4-6-11)18-13-8-7-12(17)16(21)15(13)19/h2-8,14,18,21H,9H2,1H3
InChIKeyGGSCPYDAEHWSFW-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.39
Rot. Bonds2

About 1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone

1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone (PubChem CID 57270653) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone
PubChem CID57270653
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone
SMILESCC(=O)N1c2c(ccc(Cl)c2O)NC1Cc1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-10(20)19-14(9-11-5-3-2-4-6-11)18-13-8-7-12(17)16(21)15(13)19/h2-8,14,18,21H,9H2,1H3
InChIKeyGGSCPYDAEHWSFW-UHFFFAOYSA-N
XLogP3.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone
CID 57307065
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-hydroxy-1H-benzimidazol-2-one
CID 71194090
3-[(3-chlorophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one
CID 117206670
3-[(2-chlorophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one
CID 117206707
3-[(4-chlorophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one
CID 117206743
6-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207536
5-chloro-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208291
3-benzyl-4-hydroxy-1H-benzimidazol-2-one
CID 117209028
3-[(3-chlorophenyl)methyl]-4-hydroxy-1H-benzimidazol-2-one
CID 117209032
4-hydroxy-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one
CID 117209063
3-[(2-chlorophenyl)methyl]-4-hydroxy-1H-benzimidazol-2-one
CID 117209066
4-hydroxy-3-[(4-methylphenyl)methyl]-1H-benzimidazol-2-one
CID 117209097

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone (CID 57270653) is 1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone is CC(=O)N1c2c(ccc(Cl)c2O)NC1Cc1ccccc1.
What is the InChIKey of 1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone?
The InChIKey is GGSCPYDAEHWSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10(20)19-14(9-11-5-3-2-4-6-11)18-13-8-7-12(17)16(21)15(13)19/h2-8,14,18,21H,9H2,1H3.
What are the key properties of 1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone?
1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone has a molecular weight of 302.76 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone is sourced from PubChem (CID 57270653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).