2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole

C18H20N2O — CID 11737586

IUPAC2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole
SMILESCOc1ccc(CCCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H20N2O/c1-20-17-8-4-3-7-16(17)19-18(20)9-5-6-14-10-12-15(21-2)13-11-14/h3-4,7-8,10-13H,5-6,9H2,1-2H3
InChIKeyKEYFNCGZKIXQEZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.76
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole

2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole (PubChem CID 11737586) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole
PubChem CID11737586
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole
SMILESCOc1ccc(CCCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H20N2O/c1-20-17-8-4-3-7-16(17)19-18(20)9-5-6-14-10-12-15(21-2)13-11-14/h3-4,7-8,10-13H,5-6,9H2,1-2H3
InChIKeyKEYFNCGZKIXQEZ-UHFFFAOYSA-N
XLogP3.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
2,4-dimethoxy-N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290657
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
6-[3-(1-methylbenzimidazol-2-yl)propoxy]quinoline
CID 24946061
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972051
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
CID 5016671
6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
CID 177375660
3-[3-(1-methylbenzimidazol-2-yl)propoxy]propanenitrile
CID 3160820

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole?
The IUPAC name of 2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole (CID 11737586) is 2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole is COc1ccc(CCCc2nc3ccccc3n2C)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole?
The InChIKey is KEYFNCGZKIXQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20-17-8-4-3-7-16(17)19-18(20)9-5-6-14-10-12-15(21-2)13-11-14/h3-4,7-8,10-13H,5-6,9H2,1-2H3.
What are the key properties of 2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole?
2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole has a molecular weight of 280.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole is sourced from PubChem (CID 11737586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).