4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile

C15H10ClFN4 — CID 107809092

IUPAC4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile
SMILESCc1cc2c(cc1F)nc(N)n2-c1ccc(C#N)cc1Cl
InChIInChI=1S/C15H10ClFN4/c1-8-4-14-12(6-11(8)17)20-15(19)21(14)13-3-2-9(7-18)5-10(13)16/h2-6H,1H3,(H2,19,20)
InChIKeyWJTBIYXVCJIHPZ-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.58
Rot. Bonds1

About 4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile

4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile (PubChem CID 107809092) has the molecular formula C15H10ClFN4 and a molecular weight of 300.72 g/mol. Its IUPAC name is 4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile
PubChem CID107809092
Molecular FormulaC15H10ClFN4
Molecular Weight300.72 g/mol
Exact Mass300.06
IUPAC Name4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile
SMILESCc1cc2c(cc1F)nc(N)n2-c1ccc(C#N)cc1Cl
InChIInChI=1S/C15H10ClFN4/c1-8-4-14-12(6-11(8)17)20-15(19)21(14)13-3-2-9(7-18)5-10(13)16/h2-6H,1H3,(H2,19,20)
InChIKeyWJTBIYXVCJIHPZ-UHFFFAOYSA-N
XLogP3.58
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592709
1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592726
2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
CID 107809125
4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809094
1-(2-chloro-6-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593159
1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592661
1-(2,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592718
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
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-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714937
3-(2-aminobenzimidazol-1-yl)-4-methylbenzonitrile
CID 62104310

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile?
The IUPAC name of 4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile (CID 107809092) is 4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile.
What is the SMILES notation for 4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile?
The canonical SMILES for 4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile is Cc1cc2c(cc1F)nc(N)n2-c1ccc(C#N)cc1Cl.
What is the InChIKey of 4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile?
The InChIKey is WJTBIYXVCJIHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4/c1-8-4-14-12(6-11(8)17)20-15(19)21(14)13-3-2-9(7-18)5-10(13)16/h2-6H,1H3,(H2,19,20).
What are the key properties of 4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile?
4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile has a molecular weight of 300.72 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile is sourced from PubChem (CID 107809092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).