4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide

C20H23ClFN5O3 — CID 122672567

IUPAC4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1C
InChIInChI=1S/C20H23ClFN5O3/c1-10-7-11(18(28)27-15-6-4-12(22)8-13(15)21)3-5-14(10)26-20(30)17-16(19(29)23-2)24-9-25-17/h4,6,8-11,14H,3,5,7H2,1-2H3,(H,23,29)(H,24,25)(H,26,30)(H,27,28)
InChIKeyBFFBNAXWWYLJOM-UHFFFAOYSA-N
MW435.89 g/mol
LogP2.74
Rot. Bonds5

About 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide

4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 122672567) has the molecular formula C20H23ClFN5O3 and a molecular weight of 435.89 g/mol. Its IUPAC name is 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID122672567
Molecular FormulaC20H23ClFN5O3
Molecular Weight435.89 g/mol
Exact Mass435.15
IUPAC Name4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1C
InChIInChI=1S/C20H23ClFN5O3/c1-10-7-11(18(28)27-15-6-4-12(22)8-13(15)21)3-5-14(10)26-20(30)17-16(19(29)23-2)24-9-25-17/h4,6,8-11,14H,3,5,7H2,1-2H3,(H,23,29)(H,24,25)(H,26,30)(H,27,28)
InChIKeyBFFBNAXWWYLJOM-UHFFFAOYSA-N
XLogP2.74
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 122672567) is 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1C.
What is the InChIKey of 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is BFFBNAXWWYLJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN5O3/c1-10-7-11(18(28)27-15-6-4-12(22)8-13(15)21)3-5-14(10)26-20(30)17-16(19(29)23-2)24-9-25-17/h4,6,8-11,14H,3,5,7H2,1-2H3,(H,23,29)(H,24,25)(H,26,30)(H,27,28).
What are the key properties of 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 435.89 g/mol, XLogP of 2.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122672567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).