7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one

C14H10Cl2N2O — CID 117206660

IUPAC7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(Cl)cccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C14H10Cl2N2O/c15-10-4-1-3-9(7-10)8-18-12-6-2-5-11(16)13(12)17-14(18)19/h1-7H,8H2,(H,17,19)
InChIKeyDMMLTESAUBFIJL-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.68
Rot. Bonds2

About 7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one

7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 117206660) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one
PubChem CID117206660
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(Cl)cccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C14H10Cl2N2O/c15-10-4-1-3-9(7-10)8-18-12-6-2-5-11(16)13(12)17-14(18)19/h1-7H,8H2,(H,17,19)
InChIKeyDMMLTESAUBFIJL-UHFFFAOYSA-N
XLogP3.68
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
CID 83834899
3-benzyl-7-chloro-1H-benzimidazole-2-thione
CID 104836133
7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one
CID 117206645
3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one
CID 117209019
3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206721
3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206724
3-(3-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206820
3-[(3-chlorophenyl)methyl]-1,3-benzothiazol-2-one;hydrate
CID 51056962
5-acetyl-3-[(3-chlorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 80643210
3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
3-benzyl-7-propoxy-1H-benzimidazol-2-one
CID 91806779

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one (CID 117206660) is 7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one is O=c1[nH]c2c(Cl)cccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is DMMLTESAUBFIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-10-4-1-3-9(7-10)8-18-12-6-2-5-11(16)13(12)17-14(18)19/h1-7H,8H2,(H,17,19).
What are the key properties of 7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one?
7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one has a molecular weight of 293.15 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117206660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).