(1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol

C13H14N4O — CID 125448267

IUPAC(1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol
SMILESCc1cc(-c2ccc3nc([C@H](C)O)[nH]c3c2)n[nH]1
InChIInChI=1S/C13H14N4O/c1-7-5-11(17-16-7)9-3-4-10-12(6-9)15-13(14-10)8(2)18/h3-6,8,18H,1-2H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyQJYKLYHTPVJULE-QMMMGPOBSA-N
MW242.28 g/mol
LogP2.31
Rot. Bonds2

About (1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol

(1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol (PubChem CID 125448267) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is (1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol
PubChem CID125448267
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name(1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol
SMILESCc1cc(-c2ccc3nc([C@H](C)O)[nH]c3c2)n[nH]1
InChIInChI=1S/C13H14N4O/c1-7-5-11(17-16-7)9-3-4-10-12(6-9)15-13(14-10)8(2)18/h3-6,8,18H,1-2H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyQJYKLYHTPVJULE-QMMMGPOBSA-N
XLogP2.31
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol
CID 72854769
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 116856632
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol
CID 66264432
(1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol
CID 97454007
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
3-[4-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]phenyl]propanoic acid
CID 122565007
3-[4-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]phenyl]propanoic acid
CID 125442347
(1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol
CID 95188258
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol?
The IUPAC name of (1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol (CID 125448267) is (1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol?
The canonical SMILES for (1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol is Cc1cc(-c2ccc3nc([C@H](C)O)[nH]c3c2)n[nH]1.
What is the InChIKey of (1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol?
The InChIKey is QJYKLYHTPVJULE-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14N4O/c1-7-5-11(17-16-7)9-3-4-10-12(6-9)15-13(14-10)8(2)18/h3-6,8,18H,1-2H3,(H,14,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol?
(1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol has a molecular weight of 242.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol is sourced from PubChem (CID 125448267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).