1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine

C17H27N3O — CID 116724283

IUPAC1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCCn1c(CC(N)C(OC)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C17H27N3O/c1-6-20-14-10-8-7-9-13(14)19-15(20)11-12(18)16(21-5)17(2,3)4/h7-10,12,16H,6,11,18H2,1-5H3
InChIKeyCZXLTOPPWZZWDQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.99
Rot. Bonds5

About 1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine

1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine (PubChem CID 116724283) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine
PubChem CID116724283
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCCn1c(CC(N)C(OC)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C17H27N3O/c1-6-20-14-10-8-7-9-13(14)19-15(20)11-12(18)16(21-5)17(2,3)4/h7-10,12,16H,6,11,18H2,1-5H3
InChIKeyCZXLTOPPWZZWDQ-UHFFFAOYSA-N
XLogP2.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027615
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
[1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272000
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125
4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine
CID 105164972
2-(1-ethylbenzimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714084
2-(1-ethylbenzimidazol-2-yl)-1-pyridin-2-ylethanamine
CID 79753548
1-(1-ethylbenzimidazol-2-yl)-4-methoxybutan-2-ol
CID 79754353
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105164929
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79756098

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine (CID 116724283) is 1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine is CCn1c(CC(N)C(OC)C(C)(C)C)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine?
The InChIKey is CZXLTOPPWZZWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-6-20-14-10-8-7-9-13(14)19-15(20)11-12(18)16(21-5)17(2,3)4/h7-10,12,16H,6,11,18H2,1-5H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine?
1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116724283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).