1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol

C17H14BrN5O — CID 172516652

IUPAC1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol
SMILESCC(O)c1ccc(-n2cnc3ccc(Br)cc32)nc1-n1cccn1
InChIInChI=1S/C17H14BrN5O/c1-11(24)13-4-6-16(21-17(13)23-8-2-7-20-23)22-10-19-14-5-3-12(18)9-15(14)22/h2-11,24H,1H3
InChIKeyPCKJFFFPDCKQHF-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.42
Rot. Bonds3

About 1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol

1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol (PubChem CID 172516652) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is 1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol
PubChem CID172516652
Molecular FormulaC17H14BrN5O
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC Name1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol
SMILESCC(O)c1ccc(-n2cnc3ccc(Br)cc32)nc1-n1cccn1
InChIInChI=1S/C17H14BrN5O/c1-11(24)13-4-6-16(21-17(13)23-8-2-7-20-23)22-10-19-14-5-3-12(18)9-15(14)22/h2-11,24H,1H3
InChIKeyPCKJFFFPDCKQHF-UHFFFAOYSA-N
XLogP3.42
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(1S)-1-hydroxyethyl]-6-[6-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
CID 168991715
(1S)-1-[2-[3-(1-fluoroethyl)-5-methylpyrazol-1-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol
CID 168991681
1-[2-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)-6-[6-[[(1E,3Z)-1,4-diaminopenta-1,3-dienyl]amino]benzimidazol-1-yl]-3-pyridinyl]ethanol
CID 170073747
6-bromo-1-(4-methoxyphenyl)benzimidazole
CID 71295672
(1S)-1-[2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol
CID 168991368
2-[3-[(1S)-1-hydroxyethyl]-6-[6-methoxy-5-[(2-methylpyrimidin-5-yl)amino]benzimidazol-1-yl]-2-pyridinyl]-3-methyl-1H-pyrazol-5-one
CID 168991682
1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
CID 175985352
1-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol
CID 168992092
1-[2-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol
CID 168991871
(1S)-1-[2-(benzimidazol-1-yl)phenyl]ethanol
CID 78941271
6-bromo-4-pyrazol-1-ylquinoline
CID 162750706
6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
CID 16643787

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol?
The IUPAC name of 1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol (CID 172516652) is 1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol?
The canonical SMILES for 1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol is CC(O)c1ccc(-n2cnc3ccc(Br)cc32)nc1-n1cccn1.
What is the InChIKey of 1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol?
The InChIKey is PCKJFFFPDCKQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O/c1-11(24)13-4-6-16(21-17(13)23-8-2-7-20-23)22-10-19-14-5-3-12(18)9-15(14)22/h2-11,24H,1H3.
What are the key properties of 1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol?
1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol has a molecular weight of 384.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol is sourced from PubChem (CID 172516652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).