[1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol

C19H27N3O — CID 70736382

IUPAC[1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(Cc2nc3ccccc3n2CC)C1
InChIInChI=1S/C19H27N3O/c1-3-10-19(15-23)11-7-12-21(14-19)13-18-20-16-8-5-6-9-17(16)22(18)4-2/h3,5-6,8-9,23H,1,4,7,10-15H2,2H3
InChIKeyRNJNMOUIFSQQSL-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.21
Rot. Bonds6

About [1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol

[1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 70736382) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is [1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID70736382
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name[1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(Cc2nc3ccccc3n2CC)C1
InChIInChI=1S/C19H27N3O/c1-3-10-19(15-23)11-7-12-21(14-19)13-18-20-16-8-5-6-9-17(16)22(18)4-2/h3,5-6,8-9,23H,1,4,7,10-15H2,2H3
InChIKeyRNJNMOUIFSQQSL-UHFFFAOYSA-N
XLogP3.21
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.21
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

[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 42197449
2-[[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methyl]-3-methylquinazolin-4-one
CID 126794965
1-[4-[(1-ethylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 77088299
[(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
CID 97146793
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
[(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 97117424
1,9-dimethyl-4-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecane
CID 56743242
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 86283580
1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole
CID 45204631
4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 75438563
[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol
CID 70756981
[1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 70783462

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol (CID 70736382) is [1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol is C=CCC1(CO)CCCN(Cc2nc3ccccc3n2CC)C1.
What is the InChIKey of [1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is RNJNMOUIFSQQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-3-10-19(15-23)11-7-12-21(14-19)13-18-20-16-8-5-6-9-17(16)22(18)4-2/h3,5-6,8-9,23H,1,4,7,10-15H2,2H3.
What are the key properties of [1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
[1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 313.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylbenzimidazol-2-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 70736382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).