4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol

C18H15N3O — CID 11778912

IUPAC4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol
SMILESCn1cccc1-c1nc2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C18H15N3O/c1-20-12-4-7-17(20)18-19-15-5-2-3-6-16(15)21(18)13-8-10-14(22)11-9-13/h2-12,22H,1H3
InChIKeyNUXNQMXBOILMFU-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.74
Rot. Bonds2

About 4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol

4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol (PubChem CID 11778912) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol.

Molecular Properties

Compound Name4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol
PubChem CID11778912
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol
SMILESCn1cccc1-c1nc2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C18H15N3O/c1-20-12-4-7-17(20)18-19-15-5-2-3-6-16(15)21(18)13-8-10-14(22)11-9-13/h2-12,22H,1H3
InChIKeyNUXNQMXBOILMFU-UHFFFAOYSA-N
XLogP3.74
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(p-Hydroxyphenyl)imidazole
CID 82315
4-(1H-1,3-benzodiazol-1-yl)phenol
CID 5328449
1-Phenyl-5-hydroxybenzimidazole
CID 667662
4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
CID 44405888
2-Benzoimidazol-1-yl-phenol
CID 5328428
1-(4-methoxyphenyl)-1H-benzimidazole
CID 743942
1-Phenylbenzimidazole deriv. 27
CID 5328438
1-Phenylbenzimidazole deriv. 77
CID 5328475
1-phenyl-1H-1,3-benzodiazole-5,6-diol
CID 5328526
2-{[(1-propyl-1H-benzimidazol-2-yl)methyl]amino}phenol
CID 760357
5-fluoro-2-(pyridin-2-yl)-1-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)-1H-benzo[d]imidazole
CID 11560724
1-(4-(3-((2R,5R)-2,5-dimethylpyrrolidin-1-yl)propoxy)phenyl)-5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11711947

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol?
The IUPAC name of 4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol (CID 11778912) is 4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol.
What is the SMILES notation for 4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol?
The canonical SMILES for 4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol is Cn1cccc1-c1nc2ccccc2n1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol?
The InChIKey is NUXNQMXBOILMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-20-12-4-7-17(20)18-19-15-5-2-3-6-16(15)21(18)13-8-10-14(22)11-9-13/h2-12,22H,1H3.
What are the key properties of 4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol?
4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol has a molecular weight of 289.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrrol-2-yl)benzimidazol-1-yl]phenol is sourced from PubChem (CID 11778912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).