4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile

C14H9ClN4 — CID 107809094

IUPAC4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile
SMILESN#Cc1ccc(-n2c(N)nc3ccccc32)c(Cl)c1
InChIInChI=1S/C14H9ClN4/c15-10-7-9(8-16)5-6-12(10)19-13-4-2-1-3-11(13)18-14(19)17/h1-7H,(H2,17,18)
InChIKeyAISNMPUJQNQABE-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.13
Rot. Bonds1

About 4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile

4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile (PubChem CID 107809094) has the molecular formula C14H9ClN4 and a molecular weight of 268.71 g/mol. Its IUPAC name is 4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile
PubChem CID107809094
Molecular FormulaC14H9ClN4
Molecular Weight268.71 g/mol
Exact Mass268.05
IUPAC Name4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile
SMILESN#Cc1ccc(-n2c(N)nc3ccccc32)c(Cl)c1
InChIInChI=1S/C14H9ClN4/c15-10-7-9(8-16)5-6-12(10)19-13-4-2-1-3-11(13)18-14(19)17/h1-7H,(H2,17,18)
InChIKeyAISNMPUJQNQABE-UHFFFAOYSA-N
XLogP3.13
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
CID 107809125
3-(2-aminobenzimidazol-1-yl)-4-methylbenzonitrile
CID 62104310
4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809092
4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791668
2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
3-amino-4-[2-(cyanomethyl)benzimidazol-1-yl]benzonitrile
CID 63641017
2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
CID 104715125
4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile
CID 104849631
2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714819
4-(2-chlorobenzimidazol-1-yl)benzonitrile
CID 68907266
2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile
CID 107791660
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile?
The IUPAC name of 4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile (CID 107809094) is 4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile.
What is the SMILES notation for 4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile?
The canonical SMILES for 4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile is N#Cc1ccc(-n2c(N)nc3ccccc32)c(Cl)c1.
What is the InChIKey of 4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile?
The InChIKey is AISNMPUJQNQABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4/c15-10-7-9(8-16)5-6-12(10)19-13-4-2-1-3-11(13)18-14(19)17/h1-7H,(H2,17,18).
What are the key properties of 4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile?
4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile has a molecular weight of 268.71 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile is sourced from PubChem (CID 107809094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).