2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide

C22H27N5O2 — CID 53104258

IUPAC2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)N(C)Cc1nc2cc(C(=O)N(C)C)ccc2n1C
InChIInChI=1S/C22H27N5O2/c1-6-15-9-7-8-10-17(15)24-22(29)26(4)14-20-23-18-13-16(21(28)25(2)3)11-12-19(18)27(20)5/h7-13H,6,14H2,1-5H3,(H,24,29)
InChIKeyHEQHLNRYOHORPW-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.50
Rot. Bonds5

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

2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide (PubChem CID 53104258) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
PubChem CID53104258
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)N(C)Cc1nc2cc(C(=O)N(C)C)ccc2n1C
InChIInChI=1S/C22H27N5O2/c1-6-15-9-7-8-10-17(15)24-22(29)26(4)14-20-23-18-13-16(21(28)25(2)3)11-12-19(18)27(20)5/h7-13H,6,14H2,1-5H3,(H,24,29)
InChIKeyHEQHLNRYOHORPW-UHFFFAOYSA-N
XLogP3.50
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide (CID 53104258) is 2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide is CCc1ccccc1NC(=O)N(C)Cc1nc2cc(C(=O)N(C)C)ccc2n1C.
What is the InChIKey of 2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide?
The InChIKey is HEQHLNRYOHORPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-6-15-9-7-8-10-17(15)24-22(29)26(4)14-20-23-18-13-16(21(28)25(2)3)11-12-19(18)27(20)5/h7-13H,6,14H2,1-5H3,(H,24,29).
What are the key properties of 2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide?
2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 53104258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).