2-(4-butoxyphenyl)-1H-benzimidazole

C17H18N2O — CID 5176717

IUPAC2-(4-butoxyphenyl)-1H-benzimidazole
SMILESCCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2
InChIInChI=1S/C17H18N2O/c1-2-3-12-20-14-10-8-13(9-11-14)17-18-15-6-4-5-7-16(15)19-17/h4-11H,2-3,12H2,1H3,(H,18,19)
InChIKeyPLOBBBOEFBMXTN-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.50
Rot. Bonds5

About 2-(4-butoxyphenyl)-1H-benzimidazole

2-(4-butoxyphenyl)-1H-benzimidazole (PubChem CID 5176717) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-1H-benzimidazole
PubChem CID5176717
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(4-butoxyphenyl)-1H-benzimidazole
SMILESCCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2
InChIInChI=1S/C17H18N2O/c1-2-3-12-20-14-10-8-13(9-11-14)17-18-15-6-4-5-7-16(15)19-17/h4-11H,2-3,12H2,1H3,(H,18,19)
InChIKeyPLOBBBOEFBMXTN-UHFFFAOYSA-N
XLogP4.50
TPSA37.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity289

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pimobendan
CID 4823
Bisbenzimide
CID 1464
Varoglutamstat
CID 51030870
Etodesnitazene
CID 149797386
2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole
CID 393988
Fenflumizole
CID 68917
Metodesnitazene
CID 26412
2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole
CID 1944110
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
2-{2-chloro-4-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]phenyl}-4,6-dimethyl-1H-1,3-benzodiazole
CID 11224088
[3-(4-{2'-[4-(3-Dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
CID 1946

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-butoxyphenyl)-1H-benzimidazole (CID 5176717) is 2-(4-butoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-butoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-butoxyphenyl)-1H-benzimidazole is CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2.
What is the InChIKey of 2-(4-butoxyphenyl)-1H-benzimidazole?
The InChIKey is PLOBBBOEFBMXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-3-12-20-14-10-8-13(9-11-14)17-18-15-6-4-5-7-16(15)19-17/h4-11H,2-3,12H2,1H3,(H,18,19).
What are the key properties of 2-(4-butoxyphenyl)-1H-benzimidazole?
2-(4-butoxyphenyl)-1H-benzimidazole has a molecular weight of 266.34 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 5176717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).