1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol

C14H16N4O — CID 72854769

IUPAC1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol
SMILESCc1n[nH]c(C)c1-c1ccc2nc(C(C)O)[nH]c2c1
InChIInChI=1S/C14H16N4O/c1-7-13(8(2)18-17-7)10-4-5-11-12(6-10)16-14(15-11)9(3)19/h4-6,9,19H,1-3H3,(H,15,16)(H,17,18)
InChIKeyMBDNGAOMVFJCIX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.62
Rot. Bonds2

About 1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol

1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol (PubChem CID 72854769) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol
PubChem CID72854769
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol
SMILESCc1n[nH]c(C)c1-c1ccc2nc(C(C)O)[nH]c2c1
InChIInChI=1S/C14H16N4O/c1-7-13(8(2)18-17-7)10-4-5-11-12(6-10)16-14(15-11)9(3)19/h4-6,9,19H,1-3H3,(H,15,16)(H,17,18)
InChIKeyMBDNGAOMVFJCIX-UHFFFAOYSA-N
XLogP2.62
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol
CID 125448267
(1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol
CID 97454007
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
(1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol
CID 95188258
(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol
CID 66264432
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
3-[4-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]phenyl]propanoic acid
CID 125442347
3-[4-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]phenyl]propanoic acid
CID 122565007
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 66263156

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol (CID 72854769) is 1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol is Cc1n[nH]c(C)c1-c1ccc2nc(C(C)O)[nH]c2c1.
What is the InChIKey of 1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol?
The InChIKey is MBDNGAOMVFJCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-7-13(8(2)18-17-7)10-4-5-11-12(6-10)16-14(15-11)9(3)19/h4-6,9,19H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol?
1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol has a molecular weight of 256.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol is sourced from PubChem (CID 72854769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).