2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile

C15H15F2N3 — CID 104712275

IUPAC2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(C2CCC(F)(F)CC2)nc2ccc(C#N)cc21
InChIInChI=1S/C15H15F2N3/c1-20-13-8-10(9-18)2-3-12(13)19-14(20)11-4-6-15(16,17)7-5-11/h2-3,8,11H,4-7H2,1H3
InChIKeyOEIINCHZSKPBRI-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.74
Rot. Bonds1

About 2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile

2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile (PubChem CID 104712275) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile
PubChem CID104712275
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(C2CCC(F)(F)CC2)nc2ccc(C#N)cc21
InChIInChI=1S/C15H15F2N3/c1-20-13-8-10(9-18)2-3-12(13)19-14(20)11-4-6-15(16,17)7-5-11/h2-3,8,11H,4-7H2,1H3
InChIKeyOEIINCHZSKPBRI-UHFFFAOYSA-N
XLogP3.74
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(oxan-3-yl)benzimidazole-5-carbonitrile
CID 113444337
3-methyl-2-(thiolan-2-yl)benzimidazole-5-carbonitrile
CID 104712309
2-(4,4-difluorocyclohexyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720719
3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile
CID 84629728
2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712508
3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile
CID 68973116
6-chloro-2-cyclopropyl-1-methylbenzimidazole
CID 46310330
6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole
CID 126582755
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile
CID 65034874
2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile
CID 84629734
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 84629732

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile (CID 104712275) is 2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile is Cn1c(C2CCC(F)(F)CC2)nc2ccc(C#N)cc21.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is OEIINCHZSKPBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c1-20-13-8-10(9-18)2-3-12(13)19-14(20)11-4-6-15(16,17)7-5-11/h2-3,8,11H,4-7H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile?
2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 275.30 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 104712275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).