N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide

C16H16Cl2N6O — CID 1214046

IUPACN-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide
SMILESCc1cc(C)nc(NC2=NCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H16Cl2N6O/c1-9-7-10(2)21-14(20-9)23-15-19-5-6-24(15)16(25)22-11-3-4-12(17)13(18)8-11/h3-4,7-8H,5-6H2,1-2H3,(H,22,25)(H,19,20,21,23)
InChIKeyDSQAHEXQXMJFSD-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.72
Rot. Bonds2

About N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide

N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide (PubChem CID 1214046) has the molecular formula C16H16Cl2N6O and a molecular weight of 379.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide
PubChem CID1214046
Molecular FormulaC16H16Cl2N6O
Molecular Weight379.25 g/mol
Exact Mass378.08
IUPAC NameN-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide
SMILESCc1cc(C)nc(NC2=NCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H16Cl2N6O/c1-9-7-10(2)21-14(20-9)23-15-19-5-6-24(15)16(25)22-11-3-4-12(17)13(18)8-11/h3-4,7-8H,5-6H2,1-2H3,(H,22,25)(H,19,20,21,23)
InChIKeyDSQAHEXQXMJFSD-UHFFFAOYSA-N
XLogP3.72
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide (CID 1214046) is N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide is Cc1cc(C)nc(NC2=NCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide?
The InChIKey is DSQAHEXQXMJFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N6O/c1-9-7-10(2)21-14(20-9)23-15-19-5-6-24(15)16(25)22-11-3-4-12(17)13(18)8-11/h3-4,7-8H,5-6H2,1-2H3,(H,22,25)(H,19,20,21,23).
What are the key properties of N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide?
N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydroimidazole-1-carboxamide is sourced from PubChem (CID 1214046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).