[5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol

C13H13N3O — CID 116828782

IUPAC[5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol
SMILESCc1[nH]c(-c2ccc3nc[nH]c3c2)cc1CO
InChIInChI=1S/C13H13N3O/c1-8-10(6-17)5-12(16-8)9-2-3-11-13(4-9)15-7-14-11/h2-5,7,16-17H,6H2,1H3,(H,14,15)
InChIKeyYFCIBMOMECBDSY-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.36
Rot. Bonds2

About [5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol

[5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol (PubChem CID 116828782) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is [5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol
PubChem CID116828782
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name[5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol
SMILESCc1[nH]c(-c2ccc3nc[nH]c3c2)cc1CO
InChIInChI=1S/C13H13N3O/c1-8-10(6-17)5-12(16-8)9-2-3-11-13(4-9)15-7-14-11/h2-5,7,16-17H,6H2,1H3,(H,14,15)
InChIKeyYFCIBMOMECBDSY-UHFFFAOYSA-N
XLogP2.36
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol
CID 116828806
[2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol
CID 116828786
6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
CID 175227051
[5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol
CID 116828775
N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 116877363
2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 82373683
6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole
CID 141365905
(6-chloro-3H-benzimidazol-5-yl)methanol
CID 130882807
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine
CID 82491411
6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole
CID 116897384
4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one
CID 116966111

Frequently Asked Questions

What is the IUPAC name of [5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol?
The IUPAC name of [5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol (CID 116828782) is [5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for [5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol?
The canonical SMILES for [5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol is Cc1[nH]c(-c2ccc3nc[nH]c3c2)cc1CO.
What is the InChIKey of [5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol?
The InChIKey is YFCIBMOMECBDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-10(6-17)5-12(16-8)9-2-3-11-13(4-9)15-7-14-11/h2-5,7,16-17H,6H2,1H3,(H,14,15).
What are the key properties of [5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol?
[5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol has a molecular weight of 227.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 116828782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).