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

C18H27N3 — CID 82336932

IUPACN-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
SMILESCc1ccc2nc(CCNC3CCCCCCC3)[nH]c2c1
InChIInChI=1S/C18H27N3/c1-14-9-10-16-17(13-14)21-18(20-16)11-12-19-15-7-5-3-2-4-6-8-15/h9-10,13,15,19H,2-8,11-12H2,1H3,(H,20,21)
InChIKeyZNXUJCBDXGJBRP-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.12
Rot. Bonds4

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

N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine (PubChem CID 82336932) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine.

Molecular Properties

Compound NameN-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
PubChem CID82336932
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
SMILESCc1ccc2nc(CCNC3CCCCCCC3)[nH]c2c1
InChIInChI=1S/C18H27N3/c1-14-9-10-16-17(13-14)21-18(20-16)11-12-19-15-7-5-3-2-4-6-8-15/h9-10,13,15,19H,2-8,11-12H2,1H3,(H,20,21)
InChIKeyZNXUJCBDXGJBRP-UHFFFAOYSA-N
XLogP4.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336949
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290730
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine
CID 62876454
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
CID 122564123

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine?
The IUPAC name of N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine (CID 82336932) is N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine.
What is the SMILES notation for N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine?
The canonical SMILES for N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine is Cc1ccc2nc(CCNC3CCCCCCC3)[nH]c2c1.
What is the InChIKey of N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine?
The InChIKey is ZNXUJCBDXGJBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14-9-10-16-17(13-14)21-18(20-16)11-12-19-15-7-5-3-2-4-6-8-15/h9-10,13,15,19H,2-8,11-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine?
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine has a molecular weight of 285.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine is sourced from PubChem (CID 82336932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).