2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile

C10H8FN3 — CID 82332311

IUPAC2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile
SMILESCn1c(CC#N)nc2cc(F)ccc21
InChIInChI=1S/C10H8FN3/c1-14-9-3-2-7(11)6-8(9)13-10(14)4-5-12/h2-3,6H,4H2,1H3
InChIKeyILCWRACYWJPATI-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.78
Rot. Bonds1

About 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile

2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile (PubChem CID 82332311) has the molecular formula C10H8FN3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile
PubChem CID82332311
Molecular FormulaC10H8FN3
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile
SMILESCn1c(CC#N)nc2cc(F)ccc21
InChIInChI=1S/C10H8FN3/c1-14-9-3-2-7(11)6-8(9)13-10(14)4-5-12/h2-3,6H,4H2,1H3
InChIKeyILCWRACYWJPATI-UHFFFAOYSA-N
XLogP1.78
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 82332299
N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772670
4-(5-fluoro-1-methylbenzimidazol-2-yl)but-1-ynyl-trimethylsilane
CID 66598338
2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile
CID 65035576
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
5-fluoro-2-iodo-1-methylbenzimidazole
CID 68858262
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine
CID 60783423
[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]triazol-4-yl]methanamine
CID 115458013
3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one
CID 146348514
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile?
The IUPAC name of 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile (CID 82332311) is 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile is Cn1c(CC#N)nc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile?
The InChIKey is ILCWRACYWJPATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3/c1-14-9-3-2-7(11)6-8(9)13-10(14)4-5-12/h2-3,6H,4H2,1H3.
What are the key properties of 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile?
2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile has a molecular weight of 189.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile is sourced from PubChem (CID 82332311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).