2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile

C20H18F2N4 — CID 170579935

IUPAC2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(N[C@@H](c3ccc(F)cc3F)C3CCCC3)nc12
InChIInChI=1S/C20H18F2N4/c21-14-8-9-15(16(22)10-14)18(12-4-1-2-5-12)25-20-24-17-7-3-6-13(11-23)19(17)26-20/h3,6-10,12,18H,1-2,4-5H2,(H2,24,25,26)/t18-/m1/s1
InChIKeyUGXGFHVYUAIOAY-GOSISDBHSA-N
MW352.39 g/mol
LogP5.06
Rot. Bonds4

About 2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile

2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile (PubChem CID 170579935) has the molecular formula C20H18F2N4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile
PubChem CID170579935
Molecular FormulaC20H18F2N4
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(N[C@@H](c3ccc(F)cc3F)C3CCCC3)nc12
InChIInChI=1S/C20H18F2N4/c21-14-8-9-15(16(22)10-14)18(12-4-1-2-5-12)25-20-24-17-7-3-6-13(11-23)19(17)26-20/h3,6-10,12,18H,1-2,4-5H2,(H2,24,25,26)/t18-/m1/s1
InChIKeyUGXGFHVYUAIOAY-GOSISDBHSA-N
XLogP5.06
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile (CID 170579935) is 2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile is N#Cc1cccc2[nH]c(N[C@@H](c3ccc(F)cc3F)C3CCCC3)nc12.
What is the InChIKey of 2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile?
The InChIKey is UGXGFHVYUAIOAY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18F2N4/c21-14-8-9-15(16(22)10-14)18(12-4-1-2-5-12)25-20-24-17-7-3-6-13(11-23)19(17)26-20/h3,6-10,12,18H,1-2,4-5H2,(H2,24,25,26)/t18-/m1/s1.
What are the key properties of 2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile?
2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile has a molecular weight of 352.39 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-cyclopentyl-(2,4-difluorophenyl)methyl]amino]-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 170579935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).