1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one

C15H11BrClFN2O — CID 167762125

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2ccc(F)cc2Br)c2ccc(Cl)cc21
InChIInChI=1S/C15H11BrClFN2O/c1-19-14-6-10(17)3-5-13(14)20(15(19)21)8-9-2-4-11(18)7-12(9)16/h2-7H,8H2,1H3
InChIKeyMPNMQOYZISVGCW-UHFFFAOYSA-N
MW369.62 g/mol
LogP3.94
Rot. Bonds2

About 1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one

1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one (PubChem CID 167762125) has the molecular formula C15H11BrClFN2O and a molecular weight of 369.62 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one
PubChem CID167762125
Molecular FormulaC15H11BrClFN2O
Molecular Weight369.62 g/mol
Exact Mass367.97
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2ccc(F)cc2Br)c2ccc(Cl)cc21
InChIInChI=1S/C15H11BrClFN2O/c1-19-14-6-10(17)3-5-13(14)20(15(19)21)8-9-2-4-11(18)7-12(9)16/h2-7H,8H2,1H3
InChIKeyMPNMQOYZISVGCW-UHFFFAOYSA-N
XLogP3.94
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-3-methyl-2-oxobenzimidazol-1-yl)methyl]benzonitrile
CID 141343202
5-chloro-1,3-dimethylbenzimidazol-2-one;ethane
CID 144584589
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one
CID 24609427
3-[(2,4-dichlorophenyl)methyl]-1-methyl-2-oxobenzimidazole-5-carboxylic acid
CID 22387851
N-[(2-bromo-4-fluorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 63491887
1-[(4-chloro-2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
CID 625547
1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one
CID 106869994
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperazine-2,3-dione
CID 62928955
4-[(2-bromo-4-fluorophenyl)methyl]-1-methylpiperazin-2-one
CID 64694567
1,3-dibenzyl-5-chlorobenzimidazol-2-one
CID 139081600
1-[(2-bromo-4-fluorophenyl)methyl]-5-fluoroindole
CID 63851490
N-[(2-bromo-4-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43095873

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one (CID 167762125) is 1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one is Cn1c(=O)n(Cc2ccc(F)cc2Br)c2ccc(Cl)cc21.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one?
The InChIKey is MPNMQOYZISVGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2O/c1-19-14-6-10(17)3-5-13(14)20(15(19)21)8-9-2-4-11(18)7-12(9)16/h2-7H,8H2,1H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one?
1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one has a molecular weight of 369.62 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methyl]-5-chloro-3-methylbenzimidazol-2-one is sourced from PubChem (CID 167762125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).