1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one

C19H18N4O — CID 23647066

IUPAC1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCc1cccc(-c2nc[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H18N4O/c1-12-5-4-6-13(9-12)17-18(21-11-20-17)14-7-8-15-16(10-14)23(3)19(24)22(15)2/h4-11H,1-3H3,(H,20,21)
InChIKeyKNUMVWSAHPBUMT-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.24
Rot. Bonds2

About 1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one

1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one (PubChem CID 23647066) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
PubChem CID23647066
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCc1cccc(-c2nc[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H18N4O/c1-12-5-4-6-13(9-12)17-18(21-11-20-17)14-7-8-15-16(10-14)23(3)19(24)22(15)2/h4-11H,1-3H3,(H,20,21)
InChIKeyKNUMVWSAHPBUMT-UHFFFAOYSA-N
XLogP3.24
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one (CID 23647066) is 1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one is Cc1cccc(-c2nc[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of 1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one?
The InChIKey is KNUMVWSAHPBUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12-5-4-6-13(9-12)17-18(21-11-20-17)14-7-8-15-16(10-14)23(3)19(24)22(15)2/h4-11H,1-3H3,(H,20,21).
What are the key properties of 1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one?
1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one has a molecular weight of 318.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one is sourced from PubChem (CID 23647066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).