2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine

C16H24N4O — CID 79171647

IUPAC2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine
SMILESCCN1CCOC(Cn2c(CCN)nc3ccccc32)C1
InChIInChI=1S/C16H24N4O/c1-2-19-9-10-21-13(11-19)12-20-15-6-4-3-5-14(15)18-16(20)7-8-17/h3-6,13H,2,7-12,17H2,1H3
InChIKeyUNOYFHHTPRWKRZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.26
Rot. Bonds5

About 2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine

2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine (PubChem CID 79171647) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine
PubChem CID79171647
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine
SMILESCCN1CCOC(Cn2c(CCN)nc3ccccc32)C1
InChIInChI=1S/C16H24N4O/c1-2-19-9-10-21-13(11-19)12-20-15-6-4-3-5-14(15)18-16(20)7-8-17/h3-6,13H,2,7-12,17H2,1H3
InChIKeyUNOYFHHTPRWKRZ-UHFFFAOYSA-N
XLogP1.26
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
CID 63637024
3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine
CID 50877230
N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204537
1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 114400774
2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-ethylmorpholine
CID 116620880
2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine
CID 55244166
4-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 71984927
1-[(4-ethylmorpholin-2-yl)methyl]-4,6-difluorobenzimidazol-2-amine
CID 114400808
2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]ethanethioamide
CID 55244932
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]quinoxalin-2-amine
CID 95319257
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951
2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine (CID 79171647) is 2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine is CCN1CCOC(Cn2c(CCN)nc3ccccc32)C1.
What is the InChIKey of 2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine?
The InChIKey is UNOYFHHTPRWKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-19-9-10-21-13(11-19)12-20-15-6-4-3-5-14(15)18-16(20)7-8-17/h3-6,13H,2,7-12,17H2,1H3.
What are the key properties of 2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine?
2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine has a molecular weight of 288.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 79171647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).