1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine

C19H13BrClN3 — CID 140915736

IUPAC1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine
SMILESClc1cccc(-n2c(Nc3ccccc3)nc3ccccc32)c1Br
InChIInChI=1S/C19H13BrClN3/c20-18-14(21)9-6-12-17(18)24-16-11-5-4-10-15(16)23-19(24)22-13-7-2-1-3-8-13/h1-12H,(H,22,23)
InChIKeyVFNBFOUSOYLJBC-UHFFFAOYSA-N
MW398.69 g/mol
LogP6.18
Rot. Bonds3

About 1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine

1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine (PubChem CID 140915736) has the molecular formula C19H13BrClN3 and a molecular weight of 398.69 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine
PubChem CID140915736
Molecular FormulaC19H13BrClN3
Molecular Weight398.69 g/mol
Exact Mass397.00
IUPAC Name1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine
SMILESClc1cccc(-n2c(Nc3ccccc3)nc3ccccc32)c1Br
InChIInChI=1S/C19H13BrClN3/c20-18-14(21)9-6-12-17(18)24-16-11-5-4-10-15(16)23-19(24)22-13-7-2-1-3-8-13/h1-12H,(H,22,23)
InChIKeyVFNBFOUSOYLJBC-UHFFFAOYSA-N
XLogP6.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.69
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N,1-diphenylbenzimidazol-2-amine
CID 46854683
N,1-bis(4-fluorophenyl)benzimidazol-2-amine
CID 71472918
6-bromo-1-(2-bromo-3-chlorophenyl)benzimidazol-2-amine
CID 103480613
1-(2-chlorophenyl)-2-iodobenzimidazole
CID 135367836
1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 103480725
2-(2-anilinobenzimidazol-1-yl)ethanethiol
CID 135270626
2-(2-anilinobenzimidazol-1-yl)acetic acid
CID 15944452
methyl 3-[(1-phenylbenzimidazol-2-yl)amino]benzoate
CID 141343666
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole
CID 103480742
2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid
CID 119027105
N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine
CID 924015

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine (CID 140915736) is 1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine is Clc1cccc(-n2c(Nc3ccccc3)nc3ccccc32)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine?
The InChIKey is VFNBFOUSOYLJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClN3/c20-18-14(21)9-6-12-17(18)24-16-11-5-4-10-15(16)23-19(24)22-13-7-2-1-3-8-13/h1-12H,(H,22,23).
What are the key properties of 1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine?
1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine has a molecular weight of 398.69 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-N-phenylbenzimidazol-2-amine is sourced from PubChem (CID 140915736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).