5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine

C17H27N3 — CID 65284176

IUPAC5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine
SMILESCCn1c(CCC(C)(C)CCN)nc2cc(C)ccc21
InChIInChI=1S/C17H27N3/c1-5-20-15-7-6-13(2)12-14(15)19-16(20)8-9-17(3,4)10-11-18/h6-7,12H,5,8-11,18H2,1-4H3
InChIKeyUYMOMKCJBMQXHQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.67
Rot. Bonds6

About 5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine

5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine (PubChem CID 65284176) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine
PubChem CID65284176
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine
SMILESCCn1c(CCC(C)(C)CCN)nc2cc(C)ccc21
InChIInChI=1S/C17H27N3/c1-5-20-15-7-6-13(2)12-14(15)19-16(20)8-9-17(3,4)10-11-18/h6-7,12H,5,8-11,18H2,1-4H3
InChIKeyUYMOMKCJBMQXHQ-UHFFFAOYSA-N
XLogP3.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol
CID 60836347
2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine
CID 171338197
4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62047954
4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
CID 60784508
N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 14456529
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
2-bromo-1-ethyl-5-methylbenzimidazole
CID 84799459
2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
CID 82332923
(1-ethyl-6-methylbenzimidazol-2-yl)methanamine
CID 123207150
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651
2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine
CID 62675893

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine (CID 65284176) is 5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine is CCn1c(CCC(C)(C)CCN)nc2cc(C)ccc21.
What is the InChIKey of 5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine?
The InChIKey is UYMOMKCJBMQXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-20-15-7-6-13(2)12-14(15)19-16(20)8-9-17(3,4)10-11-18/h6-7,12H,5,8-11,18H2,1-4H3.
What are the key properties of 5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine?
5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 65284176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).