2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol

C17H17N3O — CID 135476870

IUPAC2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol
SMILESCCCn1c(/N=C/c2ccccc2O)nc2ccccc21
InChIInChI=1S/C17H17N3O/c1-2-11-20-15-9-5-4-8-14(15)19-17(20)18-12-13-7-3-6-10-16(13)21/h3-10,12,21H,2,11H2,1H3/b18-12+
InChIKeyUMRWEZYFOJNOJP-LDADJPATSA-N
MW279.34 g/mol
LogP3.90
Rot. Bonds4

About 2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol

2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol (PubChem CID 135476870) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol
PubChem CID135476870
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol
SMILESCCCn1c(/N=C/c2ccccc2O)nc2ccccc21
InChIInChI=1S/C17H17N3O/c1-2-11-20-15-9-5-4-8-14(15)19-17(20)18-12-13-7-3-6-10-16(13)21/h3-10,12,21H,2,11H2,1H3/b18-12+
InChIKeyUMRWEZYFOJNOJP-LDADJPATSA-N
XLogP3.90
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]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

Desmethylastemizole
CID 155805
Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
2-(2'-Hydroxyphenyl)benzimidazole
CID 18075
Cra_1144
CID 1506
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715143
4-(1H-1,3-benzodiazol-1-yl)phenol
CID 5328449
4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
CID 44405888
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 682797
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
3-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10357932

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol?
The IUPAC name of 2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol (CID 135476870) is 2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol is CCCn1c(/N=C/c2ccccc2O)nc2ccccc21.
What is the InChIKey of 2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol?
The InChIKey is UMRWEZYFOJNOJP-LDADJPATSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-11-20-15-9-5-4-8-14(15)19-17(20)18-12-13-7-3-6-10-16(13)21/h3-10,12,21H,2,11H2,1H3/b18-12+.
What are the key properties of 2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol?
2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol has a molecular weight of 279.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-propylbenzimidazol-2-yl)iminomethyl]phenol is sourced from PubChem (CID 135476870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).