5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

C14H11BrClN3O — CID 43230508

IUPAC5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(NCc3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C14H11BrClN3O/c15-10-5-12-13(19-14(20)18-12)6-11(10)17-7-8-2-1-3-9(16)4-8/h1-6,17H,7H2,(H2,18,19,20)
InChIKeyQPKPMOLBYAHPSK-UHFFFAOYSA-N
MW352.62 g/mol
LogP3.88
Rot. Bonds3

About 5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43230508) has the molecular formula C14H11BrClN3O and a molecular weight of 352.62 g/mol. Its IUPAC name is 5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID43230508
Molecular FormulaC14H11BrClN3O
Molecular Weight352.62 g/mol
Exact Mass350.98
IUPAC Name5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(NCc3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C14H11BrClN3O/c15-10-5-12-13(19-14(20)18-12)6-11(10)17-7-8-2-1-3-9(16)4-8/h1-6,17H,7H2,(H2,18,19,20)
InChIKeyQPKPMOLBYAHPSK-UHFFFAOYSA-N
XLogP3.88
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-[(3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43230523
5-bromo-6-[(5-chloro-2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 114841957
5-bromo-6-[(3,4-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43790101
5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 66474217
2-bromo-N-[(3-chlorophenyl)methyl]-5-iodoaniline
CID 114258893
3-[(2-bromo-4-chloroanilino)methyl]benzamide
CID 80979619
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
5-bromo-6-[2-(tert-butylamino)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 107445230
4-bromo-N-[(3-chlorophenyl)methyl]-2-nitroaniline
CID 24902959
2-bromo-5-chloro-N-[(3-nitrophenyl)methyl]aniline
CID 81264262
6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 146334434
3-chloro-4-[(3-chlorophenyl)methylamino]benzoic acid
CID 63087800

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (CID 43230508) is 5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Br)c(NCc3cccc(Cl)c3)cc2[nH]1.
What is the InChIKey of 5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QPKPMOLBYAHPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O/c15-10-5-12-13(19-14(20)18-12)6-11(10)17-7-8-2-1-3-9(16)4-8/h1-6,17H,7H2,(H2,18,19,20).
What are the key properties of 5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 352.62 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43230508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).