3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one

C15H10Cl2N2O3 — CID 141405992

IUPAC3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2N2O3/c1-22-8-5-6-12-11(7-8)18-15(21)19(12)14(20)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,21)
InChIKeyOTDWOVLQMSCLKT-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.33
Rot. Bonds2

About 3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one

3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one (PubChem CID 141405992) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one
PubChem CID141405992
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2N2O3/c1-22-8-5-6-12-11(7-8)18-15(21)19(12)14(20)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,21)
InChIKeyOTDWOVLQMSCLKT-UHFFFAOYSA-N
XLogP3.33
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207490
2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
CID 83833187
(3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone
CID 110169763
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
6-amino-3-[2-(2-chlorophenyl)acetyl]-1H-benzimidazol-2-one
CID 110724060
6-amino-3-(3,5-dimethoxybenzoyl)-5-methyl-1H-benzimidazol-2-one
CID 110866696
5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one
CID 110724068
2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226527
[1-(2,6-dichlorobenzoyl)-5-methoxyindazol-3-yl] 2,5-dichlorobenzenesulfonate
CID 110169701
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 18467672
N-(2-amino-5-methoxyphenyl)-2,6-dichlorobenzamide
CID 63257918

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one (CID 141405992) is 3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one is COc1ccc2c(c1)[nH]c(=O)n2C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one?
The InChIKey is OTDWOVLQMSCLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c1-22-8-5-6-12-11(7-8)18-15(21)19(12)14(20)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,21).
What are the key properties of 3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one?
3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one has a molecular weight of 337.16 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 141405992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).