methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate

C24H22N4O3 — CID 60578647

IUPACmethyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O3/c1-16-25-21-15-17(9-14-22(21)28(16)20-7-5-4-6-8-20)23(29)26-18-10-12-19(13-11-18)27(2)24(30)31-3/h4-15H,1-3H3,(H,26,29)
InChIKeyHUQTYLYVOLVSEH-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.79
Rot. Bonds4

About methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate

methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate (PubChem CID 60578647) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate
PubChem CID60578647
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Namemethyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)N(C)c1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1
InChIInChI=1S/C24H22N4O3/c1-16-25-21-15-17(9-14-22(21)28(16)20-7-5-4-6-8-20)23(29)26-18-10-12-19(13-11-18)27(2)24(30)31-3/h4-15H,1-3H3,(H,26,29)
InChIKeyHUQTYLYVOLVSEH-UHFFFAOYSA-N
XLogP4.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94186960
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide
CID 38465374
2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide
CID 56512878
N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 37067853
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitrobenzamide
CID 5011969
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
2-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylbenzimidazole-5-carboxamide
CID 40718348
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4800585
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 55505787
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate (CID 60578647) is methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate is COC(=O)N(C)c1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1.
What is the InChIKey of methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate?
The InChIKey is HUQTYLYVOLVSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16-25-21-15-17(9-14-22(21)28(16)20-7-5-4-6-8-20)23(29)26-18-10-12-19(13-11-18)27(2)24(30)31-3/h4-15H,1-3H3,(H,26,29).
What are the key properties of methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate?
methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate has a molecular weight of 414.47 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 60578647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).