4-(1H-benzimidazol-2-yl)cyclohexan-1-amine

C13H17N3 — CID 1160378

IUPAC4-(1H-benzimidazol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C13H17N3/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-4,9-10H,5-8,14H2,(H,15,16)
InChIKeyASNVOUGGOKEIKD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.55
Rot. Bonds1

About 4-(1H-benzimidazol-2-yl)cyclohexan-1-amine

4-(1H-benzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 1160378) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)cyclohexan-1-amine
PubChem CID1160378
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-(1H-benzimidazol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C13H17N3/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-4,9-10H,5-8,14H2,(H,15,16)
InChIKeyASNVOUGGOKEIKD-UHFFFAOYSA-N
XLogP2.55
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(1H-benzimidazol-2-yl)cyclohexan-1-amine (CID 1160378) is 4-(1H-benzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)cyclohexan-1-amine is NC1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is ASNVOUGGOKEIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-4,9-10H,5-8,14H2,(H,15,16).
What are the key properties of 4-(1H-benzimidazol-2-yl)cyclohexan-1-amine?
4-(1H-benzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 1160378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).