2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide

C19H18ClN5O2 — CID 166371707

IUPAC2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cn(C)c(-c3ncccc3Cl)n2)c(C)c1
InChIInChI=1S/C19H18ClN5O2/c1-11-9-12(18(26)21-2)6-7-14(11)24-19(27)15-10-25(3)17(23-15)16-13(20)5-4-8-22-16/h4-10H,1-3H3,(H,21,26)(H,24,27)
InChIKeyCORMOJHPKZJLLR-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.06
Rot. Bonds4

About 2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide

2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide (PubChem CID 166371707) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide
PubChem CID166371707
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cn(C)c(-c3ncccc3Cl)n2)c(C)c1
InChIInChI=1S/C19H18ClN5O2/c1-11-9-12(18(26)21-2)6-7-14(11)24-19(27)15-10-25(3)17(23-15)16-13(20)5-4-8-22-16/h4-10H,1-3H3,(H,21,26)(H,24,27)
InChIKeyCORMOJHPKZJLLR-UHFFFAOYSA-N
XLogP3.06
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide (CID 166371707) is 2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide is CNC(=O)c1ccc(NC(=O)c2cn(C)c(-c3ncccc3Cl)n2)c(C)c1.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide?
The InChIKey is CORMOJHPKZJLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-11-9-12(18(26)21-2)6-7-14(11)24-19(27)15-10-25(3)17(23-15)16-13(20)5-4-8-22-16/h4-10H,1-3H3,(H,21,26)(H,24,27).
What are the key properties of 2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide?
2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-1-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 166371707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).