3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile

C14H9BrN4 — CID 82563444

IUPAC3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile
SMILESN#Cc1cccc(Nc2nc3ccc(Br)cc3[nH]2)c1
InChIInChI=1S/C14H9BrN4/c15-10-4-5-12-13(7-10)19-14(18-12)17-11-3-1-2-9(6-11)8-16/h1-7H,(H2,17,18,19)
InChIKeyUVWCSRJEPYGWBP-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.94
Rot. Bonds2

About 3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile

3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile (PubChem CID 82563444) has the molecular formula C14H9BrN4 and a molecular weight of 313.16 g/mol. Its IUPAC name is 3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile
PubChem CID82563444
Molecular FormulaC14H9BrN4
Molecular Weight313.16 g/mol
Exact Mass312.00
IUPAC Name3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile
SMILESN#Cc1cccc(Nc2nc3ccc(Br)cc3[nH]2)c1
InChIInChI=1S/C14H9BrN4/c15-10-4-5-12-13(7-10)19-14(18-12)17-11-3-1-2-9(6-11)8-16/h1-7H,(H2,17,18,19)
InChIKeyUVWCSRJEPYGWBP-UHFFFAOYSA-N
XLogP3.94
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
CID 82563483
3-[(6-bromo-2-methylquinolin-4-yl)amino]benzonitrile
CID 110435723
3-[(6-bromo-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 17246572
3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]benzonitrile
CID 21003373
3-[(5-bromo-2-pyridinyl)amino]benzonitrile
CID 61375083
N-(3-bromophenyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-amine
CID 82562882
2-(2-fluoroanilino)-3H-benzimidazole-5-carbonitrile
CID 82563341
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
3-[[4-[(2-methyl-3H-benzimidazol-5-yl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 89434057
3-[(6-aminosulfanyl-1H-benzimidazol-2-yl)amino]phenol
CID 142335295
3-[[2-(4-bromoanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112904486
6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
CID 64725155

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile?
The IUPAC name of 3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile (CID 82563444) is 3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile?
The canonical SMILES for 3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile is N#Cc1cccc(Nc2nc3ccc(Br)cc3[nH]2)c1.
What is the InChIKey of 3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile?
The InChIKey is UVWCSRJEPYGWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4/c15-10-4-5-12-13(7-10)19-14(18-12)17-11-3-1-2-9(6-11)8-16/h1-7H,(H2,17,18,19).
What are the key properties of 3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile?
3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile has a molecular weight of 313.16 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-1H-benzimidazol-2-yl)amino]benzonitrile is sourced from PubChem (CID 82563444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).