2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile

C15H10F2N4 — CID 170579235

IUPAC2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(NCc3ccc(F)cc3F)nc12
InChIInChI=1S/C15H10F2N4/c16-11-5-4-10(12(17)6-11)8-19-15-20-13-3-1-2-9(7-18)14(13)21-15/h1-6H,8H2,(H2,19,20,21)
InChIKeyDTXSDRFQPXZFAX-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.32
Rot. Bonds3

About 2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile

2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile (PubChem CID 170579235) has the molecular formula C15H10F2N4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile
PubChem CID170579235
Molecular FormulaC15H10F2N4
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(NCc3ccc(F)cc3F)nc12
InChIInChI=1S/C15H10F2N4/c16-11-5-4-10(12(17)6-11)8-19-15-20-13-3-1-2-9(7-18)14(13)21-15/h1-6H,8H2,(H2,19,20,21)
InChIKeyDTXSDRFQPXZFAX-UHFFFAOYSA-N
XLogP3.32
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634504
2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634498
6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82564403
2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile
CID 170579935
2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile
CID 104720469
2-[2-(2-chlorophenyl)ethylamino]-1H-benzimidazole-4-carbonitrile
CID 172634449
4-[(2,4-difluorophenyl)methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143591
2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634501
2-(5-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720685
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755
2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1H-benzimidazole-4-carbonitrile
CID 170580032
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile (CID 170579235) is 2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile is N#Cc1cccc2[nH]c(NCc3ccc(F)cc3F)nc12.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile?
The InChIKey is DTXSDRFQPXZFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4/c16-11-5-4-10(12(17)6-11)8-19-15-20-13-3-1-2-9(7-18)14(13)21-15/h1-6H,8H2,(H2,19,20,21).
What are the key properties of 2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile?
2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile has a molecular weight of 284.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 170579235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).