6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one

C30H28N2O2 — CID 134084716

IUPAC6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one
SMILESCc1ccccc1COCc1ccc(-c2ccc3c(c2)[nH]c(=O)n3Cc2ccccc2C)cc1
InChIInChI=1S/C30H28N2O2/c1-21-7-3-5-9-26(21)18-32-29-16-15-25(17-28(29)31-30(32)33)24-13-11-23(12-14-24)19-34-20-27-10-6-4-8-22(27)2/h3-17H,18-20H2,1-2H3,(H,31,33)
InChIKeyKOUVKNIILRZSDC-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.38
Rot. Bonds7

About 6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one

6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 134084716) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one
PubChem CID134084716
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Name6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one
SMILESCc1ccccc1COCc1ccc(-c2ccc3c(c2)[nH]c(=O)n3Cc2ccccc2C)cc1
InChIInChI=1S/C30H28N2O2/c1-21-7-3-5-9-26(21)18-32-29-16-15-25(17-28(29)31-30(32)33)24-13-11-23(12-14-24)19-34-20-27-10-6-4-8-22(27)2/h3-17H,18-20H2,1-2H3,(H,31,33)
InChIKeyKOUVKNIILRZSDC-UHFFFAOYSA-N
XLogP6.38
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one
CID 134084598
3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
CID 134084615
1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
CID 58414082
6-bromo-3-[(2-methylphenyl)methyl]-1H-benzimidazole-2-thione
CID 63546550
1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70764381
3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117208246
3-benzyl-6-phenoxy-1H-benzimidazol-2-one
CID 10335905
methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate
CID 151899237
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide
CID 166828607
3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207490
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one (CID 134084716) is 6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one is Cc1ccccc1COCc1ccc(-c2ccc3c(c2)[nH]c(=O)n3Cc2ccccc2C)cc1.
What is the InChIKey of 6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is KOUVKNIILRZSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c1-21-7-3-5-9-26(21)18-32-29-16-15-25(17-28(29)31-30(32)33)24-13-11-23(12-14-24)19-34-20-27-10-6-4-8-22(27)2/h3-17H,18-20H2,1-2H3,(H,31,33).
What are the key properties of 6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one?
6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one has a molecular weight of 448.57 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-methylphenyl)methoxymethyl]phenyl]-3-[(2-methylphenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 134084716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).