1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine

C14H17F2N3 — CID 112556438

IUPAC1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2nc3c(F)c(F)ccc3[nH]2)CC1
InChIInChI=1S/C14H17F2N3/c1-8-4-6-14(17,7-5-8)13-18-10-3-2-9(15)11(16)12(10)19-13/h2-3,8H,4-7,17H2,1H3,(H,18,19)
InChIKeyJBEVHCPGGSLYJG-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.21
Rot. Bonds1

About 1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine

1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine (PubChem CID 112556438) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine
PubChem CID112556438
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2nc3c(F)c(F)ccc3[nH]2)CC1
InChIInChI=1S/C14H17F2N3/c1-8-4-6-14(17,7-5-8)13-18-10-3-2-9(15)11(16)12(10)19-13/h2-3,8H,4-7,17H2,1H3,(H,18,19)
InChIKeyJBEVHCPGGSLYJG-UHFFFAOYSA-N
XLogP3.21
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine (CID 112556438) is 1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine is CC1CCC(N)(c2nc3c(F)c(F)ccc3[nH]2)CC1.
What is the InChIKey of 1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine?
The InChIKey is JBEVHCPGGSLYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-8-4-6-14(17,7-5-8)13-18-10-3-2-9(15)11(16)12(10)19-13/h2-3,8H,4-7,17H2,1H3,(H,18,19).
What are the key properties of 1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine?
1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 112556438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).