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

C17H18N2O — CID 168553695

IUPAC2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole
SMILESCCCOc1ccc(-c2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C17H18N2O/c1-3-10-20-13-8-9-14(12(2)11-13)17-18-15-6-4-5-7-16(15)19-17/h4-9,11H,3,10H2,1-2H3,(H,18,19)
InChIKeyGPEQOLOTHXJSIM-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.33
Rot. Bonds4

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

2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole (PubChem CID 168553695) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole
PubChem CID168553695
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole
SMILESCCCOc1ccc(-c2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C17H18N2O/c1-3-10-20-13-8-9-14(12(2)11-13)17-18-15-6-4-5-7-16(15)19-17/h4-9,11H,3,10H2,1-2H3,(H,18,19)
InChIKeyGPEQOLOTHXJSIM-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-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole
CID 168554331
4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline
CID 168554266
2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole
CID 168553903
2-[4-(4-dodecoxyphenyl)-2-fluorophenyl]-1H-benzimidazole
CID 177460870
2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole
CID 168554882
4-(6-propoxy-1H-benzimidazol-2-yl)aniline
CID 82331892
2-[2,5-bis(2-ethylhexoxy)phenyl]-1H-benzimidazole
CID 22420496
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole (CID 168553695) is 2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole is CCCOc1ccc(-c2nc3ccccc3[nH]2)c(C)c1.
What is the InChIKey of 2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole?
The InChIKey is GPEQOLOTHXJSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-10-20-13-8-9-14(12(2)11-13)17-18-15-6-4-5-7-16(15)19-17/h4-9,11H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole?
2-(2-methyl-4-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-(2-methyl-4-propoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 168553695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).