2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide

C23H29N5O3 — CID 53010131

IUPAC2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)N(C)Cc1nc2cc(C(=O)N(C)C)ccc2n1CC
InChIInChI=1S/C23H29N5O3/c1-6-28-19-13-12-16(22(29)26(3)4)14-18(19)24-21(28)15-27(5)23(30)25-17-10-8-9-11-20(17)31-7-2/h8-14H,6-7,15H2,1-5H3,(H,25,30)
InChIKeyLZUUIIASECQTON-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.82
Rot. Bonds7

About 2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide

2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide (PubChem CID 53010131) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide
PubChem CID53010131
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)N(C)Cc1nc2cc(C(=O)N(C)C)ccc2n1CC
InChIInChI=1S/C23H29N5O3/c1-6-28-19-13-12-16(22(29)26(3)4)14-18(19)24-21(28)15-27(5)23(30)25-17-10-8-9-11-20(17)31-7-2/h8-14H,6-7,15H2,1-5H3,(H,25,30)
InChIKeyLZUUIIASECQTON-UHFFFAOYSA-N
XLogP3.82
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 53104178
2-[[[(2S)-butan-2-yl]carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide
CID 95084751
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide
CID 26736268
2-[[(4-acetamidophenyl)sulfonyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide
CID 50824048
2-[[(4-chlorophenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 53104233
3-[[4-(dimethylcarbamoyl)-2-ethoxyphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086227
1-ethyl-N,N-dimethyl-2-[[methyl-(2,4,5-trimethylphenyl)sulfonylamino]methyl]benzimidazole-5-carboxamide
CID 50823949
2-[[3-chloropropylcarbamoyl(methyl)amino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 86810332
2-[[(3,4-dimethylphenyl)sulfonyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide
CID 50823863
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427
2-[[(2-bromophenyl)carbamoyl-methylamino]methyl]-1-methyl-N-propan-2-ylbenzimidazole-5-carboxamide
CID 53104311
4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide
CID 166323346

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide (CID 53010131) is 2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide is CCOc1ccccc1NC(=O)N(C)Cc1nc2cc(C(=O)N(C)C)ccc2n1CC.
What is the InChIKey of 2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide?
The InChIKey is LZUUIIASECQTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-6-28-19-13-12-16(22(29)26(3)4)14-18(19)24-21(28)15-27(5)23(30)25-17-10-8-9-11-20(17)31-7-2/h8-14H,6-7,15H2,1-5H3,(H,25,30).
What are the key properties of 2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide?
2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 53010131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).