N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine

C17H27N3 — CID 82336896

IUPACN-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C17H27N3/c1-4-5-6-7-9-18-10-8-17-19-15-11-13(2)14(3)12-16(15)20-17/h11-12,18H,4-10H2,1-3H3,(H,19,20)
InChIKeyJSNZETPNXQJMHT-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.89
Rot. Bonds8

About N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine

N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine (PubChem CID 82336896) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
PubChem CID82336896
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C17H27N3/c1-4-5-6-7-9-18-10-8-17-19-15-11-13(2)14(3)12-16(15)20-17/h11-12,18H,4-10H2,1-3H3,(H,19,20)
InChIKeyJSNZETPNXQJMHT-UHFFFAOYSA-N
XLogP3.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336878
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336897
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 62336189
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82336988
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82336677
5,6-difluoro-2-nonyl-1H-benzimidazole
CID 65427108
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]hexan-1-amine
CID 64547937
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol
CID 82336811
4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
CID 79200644

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine (CID 82336896) is N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine is CCCCCCNCCc1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine?
The InChIKey is JSNZETPNXQJMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-5-6-7-9-18-10-8-17-19-15-11-13(2)14(3)12-16(15)20-17/h11-12,18H,4-10H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine?
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 82336896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).