1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one

C15H13BrN2O — CID 797061

IUPAC1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C15H13BrN2O/c1-17-13-4-2-3-5-14(13)18(15(17)19)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3
InChIKeyUOBXJBRVEDGTQK-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.15
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one

1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one (PubChem CID 797061) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one
PubChem CID797061
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C15H13BrN2O/c1-17-13-4-2-3-5-14(13)18(15(17)19)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3
InChIKeyUOBXJBRVEDGTQK-UHFFFAOYSA-N
XLogP3.15
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one (CID 797061) is 1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(Cc2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one?
The InChIKey is UOBXJBRVEDGTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-17-13-4-2-3-5-14(13)18(15(17)19)10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one?
1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one has a molecular weight of 317.19 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 797061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).