[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine

C15H21N3O — CID 65159867

IUPAC[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine
SMILESCCn1c(CC2CCCO2)nc2cc(CN)ccc21
InChIInChI=1S/C15H21N3O/c1-2-18-14-6-5-11(10-16)8-13(14)17-15(18)9-12-4-3-7-19-12/h5-6,8,12H,2-4,7,9-10,16H2,1H3
InChIKeyXBUCRWWPEGACHF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.24
Rot. Bonds4

About [1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine

[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine (PubChem CID 65159867) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine
PubChem CID65159867
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine
SMILESCCn1c(CC2CCCO2)nc2cc(CN)ccc21
InChIInChI=1S/C15H21N3O/c1-2-18-14-6-5-11(10-16)8-13(14)17-15(18)9-12-4-3-7-19-12/h5-6,8,12H,2-4,7,9-10,16H2,1H3
InChIKeyXBUCRWWPEGACHF-UHFFFAOYSA-N
XLogP2.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-cyclopentylethyl)-1-ethylbenzimidazol-5-yl]methanamine
CID 65038299
N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
CID 70865779
1-(2-methylpropyl)-2-(oxolan-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65159654
1-ethyl-2-[2-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 65159499
2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 55080127
[1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]methanamine
CID 94934820
[4-(oxolan-2-ylmethyl)phenyl]methanamine
CID 174382096
(2Z,4E)-4-[5-(aminomethyl)-1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-2-yl]-5-(dimethylamino)-2-methylpenta-2,4-dienal
CID 138642430
[2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indol-5-yl]methanamine
CID 65165629
3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
CID 79753354
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine (CID 65159867) is [1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine is CCn1c(CC2CCCO2)nc2cc(CN)ccc21.
What is the InChIKey of [1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine?
The InChIKey is XBUCRWWPEGACHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-18-14-6-5-11(10-16)8-13(14)17-15(18)9-12-4-3-7-19-12/h5-6,8,12H,2-4,7,9-10,16H2,1H3.
What are the key properties of [1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine?
[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 65159867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).