2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine

C15H21N3 — CID 64813916

IUPAC2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine
SMILESCc1cc2nc(C3CCCCC3N)[nH]c2cc1C
InChIInChI=1S/C15H21N3/c1-9-7-13-14(8-10(9)2)18-15(17-13)11-5-3-4-6-12(11)16/h7-8,11-12H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyOPFGYKWLFSHDKB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.16
Rot. Bonds1

About 2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine

2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 64813916) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine
PubChem CID64813916
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine
SMILESCc1cc2nc(C3CCCCC3N)[nH]c2cc1C
InChIInChI=1S/C15H21N3/c1-9-7-13-14(8-10(9)2)18-15(17-13)11-5-3-4-6-12(11)16/h7-8,11-12H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyOPFGYKWLFSHDKB-UHFFFAOYSA-N
XLogP3.16
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine (CID 64813916) is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine is Cc1cc2nc(C3CCCCC3N)[nH]c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is OPFGYKWLFSHDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-9-7-13-14(8-10(9)2)18-15(17-13)11-5-3-4-6-12(11)16/h7-8,11-12H,3-6,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine?
2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 64813916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).