2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol

C14H19ClN2O — CID 68773972

IUPAC2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol
SMILESCCC(CC)c1cccc2nc(Cl)n(CCO)c12
InChIInChI=1S/C14H19ClN2O/c1-3-10(4-2)11-6-5-7-12-13(11)17(8-9-18)14(15)16-12/h5-7,10,18H,3-4,8-9H2,1-2H3
InChIKeyYKPOSFPIADDZLN-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol

2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol (PubChem CID 68773972) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol
PubChem CID68773972
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol
SMILESCCC(CC)c1cccc2nc(Cl)n(CCO)c12
InChIInChI=1S/C14H19ClN2O/c1-3-10(4-2)11-6-5-7-12-13(11)17(8-9-18)14(15)16-12/h5-7,10,18H,3-4,8-9H2,1-2H3
InChIKeyYKPOSFPIADDZLN-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-7-heptan-4-yl-1-methylbenzimidazole
CID 67271832
2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one
CID 117263425
2-(2,4-dichloro-7-pentan-3-ylbenzimidazol-1-yl)acetic acid
CID 68551766
2-(4-bromo-2-chloro-6-fluorophenoxy)-1-(methoxymethyl)-7-pentan-3-ylbenzimidazole
CID 68817155
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068
1,2-dichloro-3-pentan-3-ylbenzene
CID 67478357
2-(2-chloro-7-hydroxybenzimidazol-1-yl)acetic acid
CID 84791106
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid
CID 84800608
7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 55221624
(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol
CID 94958065
3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane
CID 143080552

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol (CID 68773972) is 2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol is CCC(CC)c1cccc2nc(Cl)n(CCO)c12.
What is the InChIKey of 2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol?
The InChIKey is YKPOSFPIADDZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-10(4-2)11-6-5-7-12-13(11)17(8-9-18)14(15)16-12/h5-7,10,18H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol?
2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol has a molecular weight of 266.77 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-7-pentan-3-ylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 68773972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).