2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile

C16H13FN4 — CID 82563411

IUPAC2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(NCCc3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C16H13FN4/c17-13-4-1-11(2-5-13)7-8-19-16-20-14-6-3-12(10-18)9-15(14)21-16/h1-6,9H,7-8H2,(H2,19,20,21)
InChIKeyXLRFCRXYWCSZRZ-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile

2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile (PubChem CID 82563411) has the molecular formula C16H13FN4 and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile
PubChem CID82563411
Molecular FormulaC16H13FN4
Molecular Weight280.31 g/mol
Exact Mass280.11
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(NCCc3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C16H13FN4/c17-13-4-1-11(2-5-13)7-8-19-16-20-14-6-3-12(10-18)9-15(14)21-16/h1-6,9H,7-8H2,(H2,19,20,21)
InChIKeyXLRFCRXYWCSZRZ-UHFFFAOYSA-N
XLogP3.23
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 82563510
6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739
4-[2-[(6-amino-8-oxo-1,7-dihydroimidazo[4,5-g]quinazolin-2-yl)amino]ethyl]benzonitrile
CID 135566933
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930
6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine
CID 45021337
2-(2-fluoroanilino)-3H-benzimidazole-5-carbonitrile
CID 82563341
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazol-2-amine
CID 114184467
2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004638
2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383464

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile (CID 82563411) is 2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(NCCc3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile?
The InChIKey is XLRFCRXYWCSZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4/c17-13-4-1-11(2-5-13)7-8-19-16-20-14-6-3-12(10-18)9-15(14)21-16/h1-6,9H,7-8H2,(H2,19,20,21).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile?
2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile has a molecular weight of 280.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 82563411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).