(1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol

C13H17ClN2O — CID 51978429

IUPAC(1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol
SMILESCC[C@@H](C)n1c([C@H](C)O)nc2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2O/c1-4-8(2)16-12-6-5-10(14)7-11(12)15-13(16)9(3)17/h5-9,17H,4H2,1-3H3/t8-,9+/m1/s1
InChIKeyHIZJUPGOIPVYGI-BDAKNGLRSA-N
MW252.75 g/mol
LogP3.71
Rot. Bonds3

About (1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol

(1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol (PubChem CID 51978429) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is (1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol
PubChem CID51978429
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name(1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol
SMILESCC[C@@H](C)n1c([C@H](C)O)nc2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2O/c1-4-8(2)16-12-6-5-10(14)7-11(12)15-13(16)9(3)17/h5-9,17H,4H2,1-3H3/t8-,9+/m1/s1
InChIKeyHIZJUPGOIPVYGI-BDAKNGLRSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
CID 62589068
2-(1-butan-2-yl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
CID 43659654
5-chloro-2-(1-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole
CID 64642268
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 51977609
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 55105214
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol
CID 46309801
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 83868113
2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
CID 82332591

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol?
The IUPAC name of (1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol (CID 51978429) is (1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol is CC[C@@H](C)n1c([C@H](C)O)nc2cc(Cl)ccc21.
What is the InChIKey of (1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol?
The InChIKey is HIZJUPGOIPVYGI-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-4-8(2)16-12-6-5-10(14)7-11(12)15-13(16)9(3)17/h5-9,17H,4H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol?
(1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol has a molecular weight of 252.75 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol is sourced from PubChem (CID 51978429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).