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

C17H18N2O2 — CID 110539403

IUPAC2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
SMILESCCCOc1cc(-c2nc3ccccc3[nH]2)ccc1OC
InChIInChI=1S/C17H18N2O2/c1-3-10-21-16-11-12(8-9-15(16)20-2)17-18-13-6-4-5-7-14(13)19-17/h4-9,11H,3,10H2,1-2H3,(H,18,19)
InChIKeyYNDWLXMHPOZMFK-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.03
Rot. Bonds5

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

2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole (PubChem CID 110539403) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
PubChem CID110539403
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
SMILESCCCOc1cc(-c2nc3ccccc3[nH]2)ccc1OC
InChIInChI=1S/C17H18N2O2/c1-3-10-21-16-11-12(8-9-15(16)20-2)17-18-13-6-4-5-7-14(13)19-17/h4-9,11H,3,10H2,1-2H3,(H,18,19)
InChIKeyYNDWLXMHPOZMFK-UHFFFAOYSA-N
XLogP4.03
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole
CID 168553903
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole
CID 168553533
2-(3-nitro-4-propoxyphenyl)-1H-benzimidazole
CID 110538737
2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 19224198
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-(3-bromo-4-hexoxy-5-methoxyphenyl)-1H-benzimidazole
CID 19224134
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole (CID 110539403) is 2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole is CCCOc1cc(-c2nc3ccccc3[nH]2)ccc1OC.
What is the InChIKey of 2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole?
The InChIKey is YNDWLXMHPOZMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-10-21-16-11-12(8-9-15(16)20-2)17-18-13-6-4-5-7-14(13)19-17/h4-9,11H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole?
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole has a molecular weight of 282.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 110539403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).