3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

C17H27N3O — CID 116721301

IUPAC3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCCOC(C(C)C)C(Cc1nc2ccccc2n1C)NC
InChIInChI=1S/C17H27N3O/c1-6-21-17(12(2)3)14(18-4)11-16-19-13-9-7-8-10-15(13)20(16)5/h7-10,12,14,17-18H,6,11H2,1-5H3
InChIKeyPCPOOSPYUJQKHU-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.76
Rot. Bonds7

About 3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 116721301) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
PubChem CID116721301
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCCOC(C(C)C)C(Cc1nc2ccccc2n1C)NC
InChIInChI=1S/C17H27N3O/c1-6-21-17(12(2)3)14(18-4)11-16-19-13-9-7-8-10-15(13)20(16)5/h7-10,12,14,17-18H,6,11H2,1-5H3
InChIKeyPCPOOSPYUJQKHU-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-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

N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116720444
3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116717051
3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 79751231
3-ethoxy-N,4-dimethyl-1-quinolin-2-ylpentan-2-amine
CID 116721300
1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 81015250
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
N,3-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 79751005
3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
CID 105007682
5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79751232

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of 3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (CID 116721301) is 3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is CCOC(C(C)C)C(Cc1nc2ccccc2n1C)NC.
What is the InChIKey of 3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is PCPOOSPYUJQKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-6-21-17(12(2)3)14(18-4)11-16-19-13-9-7-8-10-15(13)20(16)5/h7-10,12,14,17-18H,6,11H2,1-5H3.
What are the key properties of 3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116721301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).