5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide

C21H27N5O3 — CID 122679392

IUPAC5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)NC1CCC(C(=O)N(C)c2ccccc2C)CC1
InChIInChI=1S/C21H27N5O3/c1-13-6-4-5-7-16(13)26(3)21(29)14-8-10-15(11-9-14)25-20(28)18-17(19(27)22-2)23-12-24-18/h4-7,12,14-15H,8-11H2,1-3H3,(H,22,27)(H,23,24)(H,25,28)
InChIKeyRMNVQZXJHRDUGC-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.03
Rot. Bonds5

About 5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide

5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 122679392) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID122679392
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)NC1CCC(C(=O)N(C)c2ccccc2C)CC1
InChIInChI=1S/C21H27N5O3/c1-13-6-4-5-7-16(13)26(3)21(29)14-8-10-15(11-9-14)25-20(28)18-17(19(27)22-2)23-12-24-18/h4-7,12,14-15H,8-11H2,1-3H3,(H,22,27)(H,23,24)(H,25,28)
InChIKeyRMNVQZXJHRDUGC-UHFFFAOYSA-N
XLogP2.03
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide (CID 122679392) is 5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)NC1CCC(C(=O)N(C)c2ccccc2C)CC1.
What is the InChIKey of 5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is RMNVQZXJHRDUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-13-6-4-5-7-16(13)26(3)21(29)14-8-10-15(11-9-14)25-20(28)18-17(19(27)22-2)23-12-24-18/h4-7,12,14-15H,8-11H2,1-3H3,(H,22,27)(H,23,24)(H,25,28).
What are the key properties of 5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide?
5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-4-N-[4-[methyl-(2-methylphenyl)carbamoyl]cyclohexyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122679392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).