1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone

C20H19N3O — CID 1206183

IUPAC1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone
SMILESCC(=O)c1c(C)nc2n(Cc3ccc(C)cc3)c3ccccc3n12
InChIInChI=1S/C20H19N3O/c1-13-8-10-16(11-9-13)12-22-17-6-4-5-7-18(17)23-19(15(3)24)14(2)21-20(22)23/h4-11H,12H2,1-3H3
InChIKeySMMUPTMMVMPDSJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.16
Rot. Bonds3

About 1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone

1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone (PubChem CID 1206183) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone
PubChem CID1206183
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone
SMILESCC(=O)c1c(C)nc2n(Cc3ccc(C)cc3)c3ccccc3n12
InChIInChI=1S/C20H19N3O/c1-13-8-10-16(11-9-13)12-22-17-6-4-5-7-18(17)23-19(15(3)24)14(2)21-20(22)23/h4-11H,12H2,1-3H3
InChIKeySMMUPTMMVMPDSJ-UHFFFAOYSA-N
XLogP4.16
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride
CID 52994941
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
CID 11715904
1-(4-benzyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 3804528
3-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 83969302
ethyl 4-benzyl-2-(diethylaminomethyl)imidazo[1,2-a]benzimidazole-1-carboxylate
CID 19959692
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
methyl 2-methyl-4-propylimidazo[1,2-a]benzimidazole-1-carboxylate;hydrochloride
CID 2859222
ethyl 4-benzyl-2-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazole-1-carboxylate
CID 54554516
methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
CID 2858506
10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione
CID 44631621
1-[(4-methylphenyl)methyl]-3-(propylaminomethyl)indole-2-carboxylic acid
CID 53207039
N-cyclopentyl-2-[[4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetamide
CID 3226373

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone (CID 1206183) is 1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone is CC(=O)c1c(C)nc2n(Cc3ccc(C)cc3)c3ccccc3n12.
What is the InChIKey of 1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone?
The InChIKey is SMMUPTMMVMPDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13-8-10-16(11-9-13)12-22-17-6-4-5-7-18(17)23-19(15(3)24)14(2)21-20(22)23/h4-11H,12H2,1-3H3.
What are the key properties of 1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone?
1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazol-1-yl]ethanone is sourced from PubChem (CID 1206183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).