2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole

C30H28N2O — CID 18811084

IUPAC2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccccc1COC(c1ccccc1)c1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C30H28N2O/c1-22-12-6-8-16-25(22)20-32-28-19-11-10-18-27(28)31-30(32)29(24-14-4-3-5-15-24)33-21-26-17-9-7-13-23(26)2/h3-19,29H,20-21H2,1-2H3
InChIKeyJKCJXOGJGLDALP-UHFFFAOYSA-N
MW432.57 g/mol
LogP7.01
Rot. Bonds7

About 2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole

2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole (PubChem CID 18811084) has the molecular formula C30H28N2O and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole
PubChem CID18811084
Molecular FormulaC30H28N2O
Molecular Weight432.57 g/mol
Exact Mass432.22
IUPAC Name2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccccc1COC(c1ccccc1)c1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C30H28N2O/c1-22-12-6-8-16-25(22)20-32-28-19-11-10-18-27(28)31-30(32)29(24-14-4-3-5-15-24)33-21-26-17-9-7-13-23(26)2/h3-19,29H,20-21H2,1-2H3
InChIKeyJKCJXOGJGLDALP-UHFFFAOYSA-N
XLogP7.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol
CID 25405248
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2987392
[(R)-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethyl] naphthalene-1-carboxylate
CID 40821569
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 17000755
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 17027842
N-[(1R)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100742
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619696
2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 129161859
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole (CID 18811084) is 2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole is Cc1ccccc1COC(c1ccccc1)c1nc2ccccc2n1Cc1ccccc1C.
What is the InChIKey of 2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole?
The InChIKey is JKCJXOGJGLDALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O/c1-22-12-6-8-16-25(22)20-32-28-19-11-10-18-27(28)31-30(32)29(24-14-4-3-5-15-24)33-21-26-17-9-7-13-23(26)2/h3-19,29H,20-21H2,1-2H3.
What are the key properties of 2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole?
2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole has a molecular weight of 432.57 g/mol, XLogP of 7.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 18811084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).