N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

C17H27N3O — CID 116720444

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

About N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 116720444) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
PubChem CID116720444
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nc2ccccc2n1C)C(OC)C(C)C
InChIInChI=1S/C17H27N3O/c1-6-18-14(17(21-5)12(2)3)11-16-19-13-9-7-8-10-15(13)20(16)4/h7-10,12,14,17-18H,6,11H2,1-5H3
InChIKeyXRXNUXZKLGLEBS-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 N-ethyl-3-methoxy-4-methyl-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

3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116717051
3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116721301
[1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272000
3-methoxy-1-(1-methylbenzimidazol-2-yl)-N-propylpentan-2-amine
CID 116716179
N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 81015250
N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116758110
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583
3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
CID 105007682
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105164919
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (CID 116720444) is N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is CCNC(Cc1nc2ccccc2n1C)C(OC)C(C)C.
What is the InChIKey of N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is XRXNUXZKLGLEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-6-18-14(17(21-5)12(2)3)11-16-19-13-9-7-8-10-15(13)20(16)4/h7-10,12,14,17-18H,6,11H2,1-5H3.
What are the key properties of N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
N-ethyl-3-methoxy-4-methyl-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 N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116720444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).