2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole

C17H18N2O — CID 168553903

IUPAC2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole
SMILESCCCOc1cc(-c2nc3ccccc3[nH]2)ccc1C
InChIInChI=1S/C17H18N2O/c1-3-10-20-16-11-13(9-8-12(16)2)17-18-14-6-4-5-7-15(14)19-17/h4-9,11H,3,10H2,1-2H3,(H,18,19)
InChIKeyGBARPTWLQFXANB-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.33
Rot. Bonds4

About 2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole

2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole (PubChem CID 168553903) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole
PubChem CID168553903
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole
SMILESCCCOc1cc(-c2nc3ccccc3[nH]2)ccc1C
InChIInChI=1S/C17H18N2O/c1-3-10-20-16-11-13(9-8-12(16)2)17-18-14-6-4-5-7-15(14)19-17/h4-9,11H,3,10H2,1-2H3,(H,18,19)
InChIKeyGBARPTWLQFXANB-UHFFFAOYSA-N
XLogP4.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-(3-nitro-4-propoxyphenyl)-1H-benzimidazole
CID 110538737
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650
2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551335
2-(3-ethoxy-5-iodo-4-propoxyphenyl)-1H-benzimidazole
CID 168555067
2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 19224198
2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole
CID 168553695
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole
CID 168554331
2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole
CID 168554882
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole (CID 168553903) is 2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole is CCCOc1cc(-c2nc3ccccc3[nH]2)ccc1C.
What is the InChIKey of 2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole?
The InChIKey is GBARPTWLQFXANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-10-20-16-11-13(9-8-12(16)2)17-18-14-6-4-5-7-15(14)19-17/h4-9,11H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole?
2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole has a molecular weight of 266.34 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 168553903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).