3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine

C17H27N3 — CID 63842235

IUPAC3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NCc1nc2ccccc2n1CC
InChIInChI=1S/C17H27N3/c1-5-14(6-2)13(4)18-12-17-19-15-10-8-9-11-16(15)20(17)7-3/h8-11,13-14,18H,5-7,12H2,1-4H3
InChIKeyXAWLZROBSNSPNN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.97
Rot. Bonds7

About 3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine

3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine (PubChem CID 63842235) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
PubChem CID63842235
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NCc1nc2ccccc2n1CC
InChIInChI=1S/C17H27N3/c1-5-14(6-2)13(4)18-12-17-19-15-10-8-9-11-16(15)20(17)7-3/h8-11,13-14,18H,5-7,12H2,1-4H3
InChIKeyXAWLZROBSNSPNN-UHFFFAOYSA-N
XLogP3.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 93450480
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
CID 61151100
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124
3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile
CID 55101796
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61221729
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81011531
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine?
The IUPAC name of 3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine (CID 63842235) is 3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine?
The canonical SMILES for 3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine is CCC(CC)C(C)NCc1nc2ccccc2n1CC.
What is the InChIKey of 3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine?
The InChIKey is XAWLZROBSNSPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-14(6-2)13(4)18-12-17-19-15-10-8-9-11-16(15)20(17)7-3/h8-11,13-14,18H,5-7,12H2,1-4H3.
What are the key properties of 3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine?
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 63842235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).