2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile

C17H14FN3 — CID 82332299

IUPAC2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
SMILESCc1ccc(Cn2c(CC#N)nc3cc(F)ccc32)cc1
InChIInChI=1S/C17H14FN3/c1-12-2-4-13(5-3-12)11-21-16-7-6-14(18)10-15(16)20-17(21)8-9-19/h2-7,10H,8,11H2,1H3
InChIKeyVBSLOPVQZYCNSV-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.60
Rot. Bonds3

About 2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile

2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile (PubChem CID 82332299) has the molecular formula C17H14FN3 and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
PubChem CID82332299
Molecular FormulaC17H14FN3
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC Name2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
SMILESCc1ccc(Cn2c(CC#N)nc3cc(F)ccc32)cc1
InChIInChI=1S/C17H14FN3/c1-12-2-4-13(5-3-12)11-21-16-7-6-14(18)10-15(16)20-17(21)8-9-19/h2-7,10H,8,11H2,1H3
InChIKeyVBSLOPVQZYCNSV-UHFFFAOYSA-N
XLogP3.60
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 82333203
[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332049
2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile
CID 82332311
2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 43666558
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332052
2-(1,5-diethylbenzimidazol-2-yl)acetonitrile
CID 82333726
2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole
CID 43660334
2-(chloromethyl)-5-iodo-1-[(4-methylphenyl)methyl]benzimidazole
CID 66079632
2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638416
2-[1-[(3-bromo-4-fluorophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638084
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]methanethiol
CID 82333392

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile (CID 82332299) is 2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile is Cc1ccc(Cn2c(CC#N)nc3cc(F)ccc32)cc1.
What is the InChIKey of 2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile?
The InChIKey is VBSLOPVQZYCNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3/c1-12-2-4-13(5-3-12)11-21-16-7-6-14(18)10-15(16)20-17(21)8-9-19/h2-7,10H,8,11H2,1H3.
What are the key properties of 2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile?
2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile has a molecular weight of 279.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 82332299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).