2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol

C13H17N3O — CID 113341922

IUPAC2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1nc2ccccc2n1C
InChIInChI=1S/C13H17N3O/c1-3-8-16(9-10-17)13-14-11-6-4-5-7-12(11)15(13)2/h3-7,17H,1,8-10H2,2H3
InChIKeyTXPZWOMEKBBDSH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.56
Rot. Bonds5

About 2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol

2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol (PubChem CID 113341922) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol
PubChem CID113341922
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1nc2ccccc2n1C
InChIInChI=1S/C13H17N3O/c1-3-8-16(9-10-17)13-14-11-6-4-5-7-12(11)15(13)2/h3-7,17H,1,8-10H2,2H3
InChIKeyTXPZWOMEKBBDSH-UHFFFAOYSA-N
XLogP1.56
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 107203489
N-[(1Z)-buta-1,3-dienyl]-N,1-dimethylbenzimidazol-2-amine
CID 155173890
2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 84601631
N-butyl-N,1-dimethylbenzimidazol-2-amine
CID 71723450
N,1-dimethyl-N-(2-phenylethyl)benzimidazol-2-amine
CID 115144055
methyl 3-(N-(1-methylbenzimidazol-2-yl)anilino)propanoate
CID 4587225
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
CID 106643971
N-(2-bromoethyl)-1-methyl-N-pentan-3-ylbenzimidazol-2-amine
CID 80680419
N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine
CID 115144025
2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol
CID 115744732
2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol
CID 115144108

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol (CID 113341922) is 2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol is C=CCN(CCO)c1nc2ccccc2n1C.
What is the InChIKey of 2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol?
The InChIKey is TXPZWOMEKBBDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-8-16(9-10-17)13-14-11-6-4-5-7-12(11)15(13)2/h3-7,17H,1,8-10H2,2H3.
What are the key properties of 2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol?
2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol is sourced from PubChem (CID 113341922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).