3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol

C17H16N4O — CID 5153534

IUPAC3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccc(-c3nc4ccccc4[nH]3)cc2[nH]1
InChIInChI=1S/C17H16N4O/c22-9-3-6-16-18-14-8-7-11(10-15(14)19-16)17-20-12-4-1-2-5-13(12)21-17/h1-2,4-5,7-8,10,22H,3,6,9H2,(H,18,19)(H,20,21)
InChIKeyRCXQUYNPDUSZOY-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.03
Rot. Bonds4

About 3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol

3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol (PubChem CID 5153534) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol
PubChem CID5153534
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccc(-c3nc4ccccc4[nH]3)cc2[nH]1
InChIInChI=1S/C17H16N4O/c22-9-3-6-16-18-14-8-7-11(10-15(14)19-16)17-20-12-4-1-2-5-13(12)21-17/h1-2,4-5,7-8,10,22H,3,6,9H2,(H,18,19)(H,20,21)
InChIKeyRCXQUYNPDUSZOY-UHFFFAOYSA-N
XLogP3.03
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol 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

3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol
CID 71241541
6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole
CID 54132901
3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
CID 4162826
[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 79204635
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol
CID 79204636
[6-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]methanol
CID 816966
4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol
CID 83960714
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol (CID 5153534) is 3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol is OCCCc1nc2ccc(-c3nc4ccccc4[nH]3)cc2[nH]1.
What is the InChIKey of 3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol?
The InChIKey is RCXQUYNPDUSZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-9-3-6-16-18-14-8-7-11(10-15(14)19-16)17-20-12-4-1-2-5-13(12)21-17/h1-2,4-5,7-8,10,22H,3,6,9H2,(H,18,19)(H,20,21).
What are the key properties of 3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol?
3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol has a molecular weight of 292.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 5153534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).