N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide

C16H14ClN5O — CID 71580550

IUPACN-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccnc(Cl)n2)c(C)n1-c1ccccc1
InChIInChI=1S/C16H14ClN5O/c1-10-14(15(23)20-13-8-9-18-16(17)21-13)19-11(2)22(10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,20,21,23)
InChIKeyYCJZWBZJSYLMPB-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.18
Rot. Bonds3

About N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide

N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide (PubChem CID 71580550) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide
PubChem CID71580550
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC NameN-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccnc(Cl)n2)c(C)n1-c1ccccc1
InChIInChI=1S/C16H14ClN5O/c1-10-14(15(23)20-13-8-9-18-16(17)21-13)19-11(2)22(10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,20,21,23)
InChIKeyYCJZWBZJSYLMPB-UHFFFAOYSA-N
XLogP3.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide (CID 71580550) is N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide is Cc1nc(C(=O)Nc2ccnc(Cl)n2)c(C)n1-c1ccccc1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide?
The InChIKey is YCJZWBZJSYLMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-10-14(15(23)20-13-8-9-18-16(17)21-13)19-11(2)22(10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,20,21,23).
What are the key properties of N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide?
N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide has a molecular weight of 327.78 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenylimidazole-4-carboxamide is sourced from PubChem (CID 71580550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).