1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol

C14H17N3O — CID 114056362

IUPAC1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol
SMILESCC(O)c1cccnc1-n1cnc2c1CCCC2
InChIInChI=1S/C14H17N3O/c1-10(18)11-5-4-8-15-14(11)17-9-16-12-6-2-3-7-13(12)17/h4-5,8-10,18H,2-3,6-7H2,1H3
InChIKeyYARXLOYJGNPCGK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.20
Rot. Bonds2

About 1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol

1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol (PubChem CID 114056362) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol
PubChem CID114056362
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol
SMILESCC(O)c1cccnc1-n1cnc2c1CCCC2
InChIInChI=1S/C14H17N3O/c1-10(18)11-5-4-8-15-14(11)17-9-16-12-6-2-3-7-13(12)17/h4-5,8-10,18H,2-3,6-7H2,1H3
InChIKeyYARXLOYJGNPCGK-UHFFFAOYSA-N
XLogP2.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione
CID 114056149
4-[3-(1-hydroxyethyl)-2-pyridinyl]-3,3-dimethylpiperazin-2-one
CID 114056090
(1S)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
(1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
CID 114056098
1-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxamide
CID 114082238
1-(2-piperidin-1-yl-3-pyridinyl)ethanamine
CID 103846595
(1R)-1-quinolin-5-ylethanol
CID 86326294
1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
CID 114055853
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
CID 130211179
5-iodo-4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-1H-pyrimidin-6-one
CID 136984765
N-methyl-2-[(3R)-3-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 129488885
(1S)-1-[2-(benzimidazol-1-yl)phenyl]ethanol
CID 78941271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol?
The IUPAC name of 1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol (CID 114056362) is 1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol is CC(O)c1cccnc1-n1cnc2c1CCCC2.
What is the InChIKey of 1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol?
The InChIKey is YARXLOYJGNPCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(18)11-5-4-8-15-14(11)17-9-16-12-6-2-3-7-13(12)17/h4-5,8-10,18H,2-3,6-7H2,1H3.
What are the key properties of 1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol?
1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol has a molecular weight of 243.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 114056362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).