N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine

C18H27N3 — CID 82336177

IUPACN-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine
SMILESCCc1ccc2nc(C(C)N(C)C3CCCCC3)[nH]c2c1
InChIInChI=1S/C18H27N3/c1-4-14-10-11-16-17(12-14)20-18(19-16)13(2)21(3)15-8-6-5-7-9-15/h10-13,15H,4-9H2,1-3H3,(H,19,20)
InChIKeyULFNUQLQAWCLDW-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.45
Rot. Bonds4

About N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine

N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine (PubChem CID 82336177) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine
PubChem CID82336177
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine
SMILESCCc1ccc2nc(C(C)N(C)C3CCCCC3)[nH]c2c1
InChIInChI=1S/C18H27N3/c1-4-14-10-11-16-17(12-14)20-18(19-16)13(2)21(3)15-8-6-5-7-9-15/h10-13,15H,4-9H2,1-3H3,(H,19,20)
InChIKeyULFNUQLQAWCLDW-UHFFFAOYSA-N
XLogP4.45
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine
CID 82336183
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 82336181
N-[1-(6-ethyl-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336357
[2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine
CID 83151812
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336949
2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 82497430
2-(6-ethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide
CID 104520336
6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
CID 114875306
2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole
CID 107002122
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine?
The IUPAC name of N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine (CID 82336177) is N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine is CCc1ccc2nc(C(C)N(C)C3CCCCC3)[nH]c2c1.
What is the InChIKey of N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine?
The InChIKey is ULFNUQLQAWCLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-14-10-11-16-17(12-14)20-18(19-16)13(2)21(3)15-8-6-5-7-9-15/h10-13,15H,4-9H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine?
N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine has a molecular weight of 285.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine is sourced from PubChem (CID 82336177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).