N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide

C24H21BrN4O2 — CID 27800536

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)CC(=O)Nc3ccccc3Br)ccc2n1-c1ccccc1
InChIInChI=1S/C24H21BrN4O2/c1-16-26-21-14-17(12-13-22(21)29(16)18-8-4-3-5-9-18)24(31)28(2)15-23(30)27-20-11-7-6-10-19(20)25/h3-14H,15H2,1-2H3,(H,27,30)
InChIKeyWEKAQNZXIWVHQX-UHFFFAOYSA-N
MW477.36 g/mol
LogP4.81
Rot. Bonds5

About N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide

N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide (PubChem CID 27800536) has the molecular formula C24H21BrN4O2 and a molecular weight of 477.36 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide
PubChem CID27800536
Molecular FormulaC24H21BrN4O2
Molecular Weight477.36 g/mol
Exact Mass476.08
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)CC(=O)Nc3ccccc3Br)ccc2n1-c1ccccc1
InChIInChI=1S/C24H21BrN4O2/c1-16-26-21-14-17(12-13-22(21)29(16)18-8-4-3-5-9-18)24(31)28(2)15-23(30)27-20-11-7-6-10-19(20)25/h3-14H,15H2,1-2H3,(H,27,30)
InChIKeyWEKAQNZXIWVHQX-UHFFFAOYSA-N
XLogP4.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71881091
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 37067853
[2-oxo-2-(2-phenylanilino)ethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4001709
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296398
methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate
CID 60578647
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 8002313
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-3,5-dinitrobenzamide
CID 26896533
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27800522
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide
CID 4845703
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4800585

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide (CID 27800536) is N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)N(C)CC(=O)Nc3ccccc3Br)ccc2n1-c1ccccc1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is WEKAQNZXIWVHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O2/c1-16-26-21-14-17(12-13-22(21)29(16)18-8-4-3-5-9-18)24(31)28(2)15-23(30)27-20-11-7-6-10-19(20)25/h3-14H,15H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 477.36 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethyl-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 27800536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).