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

C24H26ClN3O2 — CID 10180673

IUPACN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1nc(-c2ccccc2Cl)n(NC(=O)c2ccc3c(c2C)CCCO3)c1C(C)C
InChIInChI=1S/C24H26ClN3O2/c1-14(2)22-16(4)26-23(19-8-5-6-10-20(19)25)28(22)27-24(29)18-11-12-21-17(15(18)3)9-7-13-30-21/h5-6,8,10-12,14H,7,9,13H2,1-4H3,(H,27,29)
InChIKeySGNSZPLGJAXUAT-UHFFFAOYSA-N
MW423.94 g/mol
LogP5.65
Rot. Bonds4

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

N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 10180673) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID10180673
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC NameN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1nc(-c2ccccc2Cl)n(NC(=O)c2ccc3c(c2C)CCCO3)c1C(C)C
InChIInChI=1S/C24H26ClN3O2/c1-14(2)22-16(4)26-23(19-8-5-6-10-20(19)25)28(22)27-24(29)18-11-12-21-17(15(18)3)9-7-13-30-21/h5-6,8,10-12,14H,7,9,13H2,1-4H3,(H,27,29)
InChIKeySGNSZPLGJAXUAT-UHFFFAOYSA-N
XLogP5.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.65
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-[4,5-dimethyl-2-(2-methylphenyl)imidazol-1-yl]-3-methoxy-2-methylbenzamide
CID 9968230
N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide
CID 9969006
N-[2-(2-chloro-4-nitrophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide
CID 10114311
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-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide
CID 10163353
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 10180673) is N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-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-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide is Cc1nc(-c2ccccc2Cl)n(NC(=O)c2ccc3c(c2C)CCCO3)c1C(C)C.
What is the InChIKey of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is SGNSZPLGJAXUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-14(2)22-16(4)26-23(19-8-5-6-10-20(19)25)28(22)27-24(29)18-11-12-21-17(15(18)3)9-7-13-30-21/h5-6,8,10-12,14H,7,9,13H2,1-4H3,(H,27,29).
What are the key properties of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 423.94 g/mol, XLogP of 5.65, 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-methyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 10180673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).