1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide

C23H29N5O2 — CID 53104178

IUPAC1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide
SMILESCCc1ccc(NC(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2CC)cc1
InChIInChI=1S/C23H29N5O2/c1-6-16-8-11-18(12-9-16)24-23(30)27(5)15-21-25-19-14-17(22(29)26(3)4)10-13-20(19)28(21)7-2/h8-14H,6-7,15H2,1-5H3,(H,24,30)
InChIKeyGDCASZMIWUBWDA-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.98
Rot. Bonds6

About 1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide

1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide (PubChem CID 53104178) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide
PubChem CID53104178
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide
SMILESCCc1ccc(NC(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2CC)cc1
InChIInChI=1S/C23H29N5O2/c1-6-16-8-11-18(12-9-16)24-23(30)27(5)15-21-25-19-14-17(22(29)26(3)4)10-13-20(19)28(21)7-2/h8-14H,6-7,15H2,1-5H3,(H,24,30)
InChIKeyGDCASZMIWUBWDA-UHFFFAOYSA-N
XLogP3.98
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[butan-2-ylcarbamoyl(methyl)amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide
CID 53104224
2-[[[(2S)-butan-2-yl]carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide
CID 95084751
2-[[(2-ethoxyphenyl)carbamoyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide
CID 53010131
2-[[(4-chlorophenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 53104233
2-[[(4-acetamidophenyl)sulfonyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide
CID 50824048
2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 53104258
1-ethyl-N,N-dimethyl-2-[[methyl-(2,4,5-trimethylphenyl)sulfonylamino]methyl]benzimidazole-5-carboxamide
CID 50823949
2-[[(3,4-dimethylphenyl)sulfonyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-carboxamide
CID 50823863
methyl 1,2-diethylbenzimidazole-5-carboxylate
CID 167201887
2-[[3-chloropropylcarbamoyl(methyl)amino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 86810332
1-ethyl-N,N-dimethyl-2-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzimidazole-5-carboxamide
CID 50823978
1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 50822466

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of 1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide (CID 53104178) is 1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide is CCc1ccc(NC(=O)N(C)Cc2nc3cc(C(=O)N(C)C)ccc3n2CC)cc1.
What is the InChIKey of 1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide?
The InChIKey is GDCASZMIWUBWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-6-16-8-11-18(12-9-16)24-23(30)27(5)15-21-25-19-14-17(22(29)26(3)4)10-13-20(19)28(21)7-2/h8-14H,6-7,15H2,1-5H3,(H,24,30).
What are the key properties of 1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide?
1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[(4-ethylphenyl)carbamoyl-methylamino]methyl]-N,N-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 53104178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).