1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole

C24H24N2O — CID 18878014

IUPAC1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole
SMILESCCC(Oc1ccccc1)c1nc2ccccc2n1Cc1cccc(C)c1
InChIInChI=1S/C24H24N2O/c1-3-23(27-20-12-5-4-6-13-20)24-25-21-14-7-8-15-22(21)26(24)17-19-11-9-10-18(2)16-19/h4-16,23H,3,17H2,1-2H3
InChIKeySGZIDLNVBXCNMX-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.92
Rot. Bonds6

About 1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole

1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole (PubChem CID 18878014) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole
PubChem CID18878014
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole
SMILESCCC(Oc1ccccc1)c1nc2ccccc2n1Cc1cccc(C)c1
InChIInChI=1S/C24H24N2O/c1-3-23(27-20-12-5-4-6-13-20)24-25-21-14-7-8-15-22(21)26(24)17-19-11-9-10-18(2)16-19/h4-16,23H,3,17H2,1-2H3
InChIKeySGZIDLNVBXCNMX-UHFFFAOYSA-N
XLogP5.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole
CID 18877935
2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 18877927
2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole
CID 18877904
2-[1-(3-methylphenoxy)propyl]-1-octadecylbenzimidazole
CID 18877891
2-[(1S)-1-(3-methylphenoxy)propyl]-1-prop-2-enylbenzimidazole
CID 51430276
1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
CID 18877885
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
2-(1-phenoxypropyl)-1-undecylbenzimidazole
CID 18877986
1-(2-methylprop-2-enyl)-2-[(1S)-1-phenoxypropyl]benzimidazole
CID 51567496
1-[3-(2,5-dimethylphenoxy)propyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
CID 18877957
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole
CID 16999090

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole (CID 18878014) is 1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole is CCC(Oc1ccccc1)c1nc2ccccc2n1Cc1cccc(C)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole?
The InChIKey is SGZIDLNVBXCNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-3-23(27-20-12-5-4-6-13-20)24-25-21-14-7-8-15-22(21)26(24)17-19-11-9-10-18(2)16-19/h4-16,23H,3,17H2,1-2H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole?
1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole has a molecular weight of 356.47 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole is sourced from PubChem (CID 18878014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).