(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol

C12H15ClN2O — CID 94958068

IUPAC(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
SMILESCCCn1c([C@H](C)O)nc2cccc(Cl)c21
InChIInChI=1S/C12H15ClN2O/c1-3-7-15-11-9(13)5-4-6-10(11)14-12(15)8(2)16/h4-6,8,16H,3,7H2,1-2H3/t8-/m0/s1
InChIKeyJTSSWIPYDOPVSY-QMMMGPOBSA-N
MW238.72 g/mol
LogP3.15
Rot. Bonds3

About (1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol

(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol (PubChem CID 94958068) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is (1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
PubChem CID94958068
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
SMILESCCCn1c([C@H](C)O)nc2cccc(Cl)c21
InChIInChI=1S/C12H15ClN2O/c1-3-7-15-11-9(13)5-4-6-10(11)14-12(15)8(2)16/h4-6,8,16H,3,7H2,1-2H3/t8-/m0/s1
InChIKeyJTSSWIPYDOPVSY-QMMMGPOBSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol
CID 94958065
(1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 97179650
2-(7-chloro-1-propylbenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 62853512
7-chloro-2-(1-chloroethyl)-1-pentylbenzimidazole
CID 43666215
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
7-chloro-2-(1-chloroethyl)-1-(3-propoxypropyl)benzimidazole
CID 82944116
7-chloro-2-(1-chloroethyl)-1-(2,2-dimethylpropyl)benzimidazole
CID 63544860
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666503
5-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240470
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795
N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-N-methylbutan-2-amine
CID 106004805
7-chloro-2-(1-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 55221624

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol?
The IUPAC name of (1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol (CID 94958068) is (1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol?
The canonical SMILES for (1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol is CCCn1c([C@H](C)O)nc2cccc(Cl)c21.
What is the InChIKey of (1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol?
The InChIKey is JTSSWIPYDOPVSY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-3-7-15-11-9(13)5-4-6-10(11)14-12(15)8(2)16/h4-6,8,16H,3,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol?
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol has a molecular weight of 238.72 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 94958068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).