1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine

C13H16ClN3 — CID 61292154

IUPAC1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine
SMILESNC1(c2nc3ccc(Cl)cc3[nH]2)CCCCC1
InChIInChI=1S/C13H16ClN3/c14-9-4-5-10-11(8-9)17-12(16-10)13(15)6-2-1-3-7-13/h4-5,8H,1-3,6-7,15H2,(H,16,17)
InChIKeyLUFPGSTUISDSED-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.33
Rot. Bonds1

About 1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine

1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 61292154) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine
PubChem CID61292154
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine
SMILESNC1(c2nc3ccc(Cl)cc3[nH]2)CCCCC1
InChIInChI=1S/C13H16ClN3/c14-9-4-5-10-11(8-9)17-12(16-10)13(15)6-2-1-3-7-13/h4-5,8H,1-3,6-7,15H2,(H,16,17)
InChIKeyLUFPGSTUISDSED-UHFFFAOYSA-N
XLogP3.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine (CID 61292154) is 1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine is NC1(c2nc3ccc(Cl)cc3[nH]2)CCCCC1.
What is the InChIKey of 1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is LUFPGSTUISDSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c14-9-4-5-10-11(8-9)17-12(16-10)13(15)6-2-1-3-7-13/h4-5,8H,1-3,6-7,15H2,(H,16,17).
What are the key properties of 1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine?
1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 249.74 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61292154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).