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

C16H25N3O — CID 116760727

IUPAC3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCCC(CC)(OC)C(N)Cc1nc2ccccc2n1C
InChIInChI=1S/C16H25N3O/c1-5-16(6-2,20-4)14(17)11-15-18-12-9-7-8-10-13(12)19(15)3/h7-10,14H,5-6,11,17H2,1-4H3
InChIKeyQULNYCNZYHFBDV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.65
Rot. Bonds6

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

3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 116760727) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
PubChem CID116760727
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCCC(CC)(OC)C(N)Cc1nc2ccccc2n1C
InChIInChI=1S/C16H25N3O/c1-5-16(6-2,20-4)14(17)11-15-18-12-9-7-8-10-13(12)19(15)3/h7-10,14H,5-6,11,17H2,1-4H3
InChIKeyQULNYCNZYHFBDV-UHFFFAOYSA-N
XLogP2.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine
CID 79757194
N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116758110
3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 79751231
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79953293
1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753862
[1-tert-butylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105226520
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of 3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (CID 116760727) is 3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is CCC(CC)(OC)C(N)Cc1nc2ccccc2n1C.
What is the InChIKey of 3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is QULNYCNZYHFBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-16(6-2,20-4)14(17)11-15-18-12-9-7-8-10-13(12)19(15)3/h7-10,14H,5-6,11,17H2,1-4H3.
What are the key properties of 3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116760727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).