N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide

C25H28ClN3O2 — CID 10225098

IUPACN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1cc(C(=O)Nn2c(-c3ccccc3Cl)nc(C)c2C(C)C)c(C)c2c1OCCC2
InChIInChI=1S/C25H28ClN3O2/c1-14(2)22-17(5)27-24(19-9-6-7-11-21(19)26)29(22)28-25(30)20-13-15(3)23-18(16(20)4)10-8-12-31-23/h6-7,9,11,13-14H,8,10,12H2,1-5H3,(H,28,30)
InChIKeyCPJSKNGMEIERKY-UHFFFAOYSA-N
MW437.97 g/mol
LogP5.96
Rot. Bonds4

About N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide

N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 10225098) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID10225098
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC NameN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1cc(C(=O)Nn2c(-c3ccccc3Cl)nc(C)c2C(C)C)c(C)c2c1OCCC2
InChIInChI=1S/C25H28ClN3O2/c1-14(2)22-17(5)27-24(19-9-6-7-11-21(19)26)29(22)28-25(30)20-13-15(3)23-18(16(20)4)10-8-12-31-23/h6-7,9,11,13-14H,8,10,12H2,1-5H3,(H,28,30)
InChIKeyCPJSKNGMEIERKY-UHFFFAOYSA-N
XLogP5.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.97
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-Chlorophenyl)-4-Methyl-5-(1-Methylethyl)-1h-Imidazol-1-Yl]-5-Methyl-2,3-Dihydro-1,4-Benzodioxine-6-Carboxamide
CID 10180805
N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide
CID 9969006
N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide
CID 10158319
N-[4-(2-chlorophenyl)-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]-3-methoxy-2-methylbenzamide
CID 10158336
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 10180673
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 10181717
N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 10199494
N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 10202415
N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide
CID 10221962
N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 10223621
N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 10273887
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide
CID 10274025

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 10225098) is N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide is Cc1cc(C(=O)Nn2c(-c3ccccc3Cl)nc(C)c2C(C)C)c(C)c2c1OCCC2.
What is the InChIKey of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is CPJSKNGMEIERKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-14(2)22-17(5)27-24(19-9-6-7-11-21(19)26)29(22)28-25(30)20-13-15(3)23-18(16(20)4)10-8-12-31-23/h6-7,9,11,13-14H,8,10,12H2,1-5H3,(H,28,30).
What are the key properties of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide?
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 437.97 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 10225098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).