1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

C18H16ClFN4O — CID 71580332

IUPAC1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2nc(C)n(-c3ccc(F)c(Cl)c3)c2C)n1
InChIInChI=1S/C18H16ClFN4O/c1-10-5-4-6-16(21-10)23-18(25)17-11(2)24(12(3)22-17)13-7-8-15(20)14(19)9-13/h4-9H,1-3H3,(H,21,23,25)
InChIKeyWYMQGANITXWQQR-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.24
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 71580332) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
PubChem CID71580332
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2nc(C)n(-c3ccc(F)c(Cl)c3)c2C)n1
InChIInChI=1S/C18H16ClFN4O/c1-10-5-4-6-16(21-10)23-18(25)17-11(2)24(12(3)22-17)13-7-8-15(20)14(19)9-13/h4-9H,1-3H3,(H,21,23,25)
InChIKeyWYMQGANITXWQQR-UHFFFAOYSA-N
XLogP4.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (CID 71580332) is 1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is Cc1cccc(NC(=O)c2nc(C)n(-c3ccc(F)c(Cl)c3)c2C)n1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The InChIKey is WYMQGANITXWQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c1-10-5-4-6-16(21-10)23-18(25)17-11(2)24(12(3)22-17)13-7-8-15(20)14(19)9-13/h4-9H,1-3H3,(H,21,23,25).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 358.80 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 71580332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).