N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide

C21H24N4O2 — CID 71881091

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nc(C)n3C)c1C
InChIInChI=1S/C21H24N4O2/c1-13-7-6-8-17(14(13)2)23-20(26)12-24(4)21(27)16-9-10-19-18(11-16)22-15(3)25(19)5/h6-11H,12H2,1-5H3,(H,23,26)
InChIKeyPJLCIGRETFPINN-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.21
Rot. Bonds4

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide (PubChem CID 71881091) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
PubChem CID71881091
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nc(C)n3C)c1C
InChIInChI=1S/C21H24N4O2/c1-13-7-6-8-17(14(13)2)23-20(26)12-24(4)21(27)16-9-10-19-18(11-16)22-15(3)25(19)5/h6-11H,12H2,1-5H3,(H,23,26)
InChIKeyPJLCIGRETFPINN-UHFFFAOYSA-N
XLogP3.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide
CID 27800536
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55820877
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37352007
3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9161434
4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 26656595
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 31931542
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765803

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide (CID 71881091) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide is Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nc(C)n3C)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide?
The InChIKey is PJLCIGRETFPINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-7-6-8-17(14(13)2)23-20(26)12-24(4)21(27)16-9-10-19-18(11-16)22-15(3)25(19)5/h6-11H,12H2,1-5H3,(H,23,26).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 71881091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).