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

C18H27N3 — CID 82336949

IUPACN-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
SMILESCCc1ccc2nc(CCNC3CCCCCC3)[nH]c2c1
InChIInChI=1S/C18H27N3/c1-2-14-9-10-16-17(13-14)21-18(20-16)11-12-19-15-7-5-3-4-6-8-15/h9-10,13,15,19H,2-8,11-12H2,1H3,(H,20,21)
InChIKeyJKWHJPDGJNZGLH-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.98
Rot. Bonds5

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

N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine (PubChem CID 82336949) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
PubChem CID82336949
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
SMILESCCc1ccc2nc(CCNC3CCCCCC3)[nH]c2c1
InChIInChI=1S/C18H27N3/c1-2-14-9-10-16-17(13-14)21-18(20-16)11-12-19-15-7-5-3-4-6-8-15/h9-10,13,15,19H,2-8,11-12H2,1H3,(H,20,21)
InChIKeyJKWHJPDGJNZGLH-UHFFFAOYSA-N
XLogP3.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine
CID 82495000
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337145
2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol
CID 82337062
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115207103
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
CID 96673204

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine (CID 82336949) is N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine is CCc1ccc2nc(CCNC3CCCCCC3)[nH]c2c1.
What is the InChIKey of N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine?
The InChIKey is JKWHJPDGJNZGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-14-9-10-16-17(13-14)21-18(20-16)11-12-19-15-7-5-3-4-6-8-15/h9-10,13,15,19H,2-8,11-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine?
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine has a molecular weight of 285.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 82336949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).