N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide

C24H27N3O3 — CID 46081404

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide
SMILESCc1cc(C)cc(-c2ccc(-n3cncc3C(=O)NCC3COC(C)(C)O3)cc2)c1
InChIInChI=1S/C24H27N3O3/c1-16-9-17(2)11-19(10-16)18-5-7-20(8-6-18)27-15-25-13-22(27)23(28)26-12-21-14-29-24(3,4)30-21/h5-11,13,15,21H,12,14H2,1-4H3,(H,26,28)
InChIKeyFLCPMWXSTGXKOC-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.04
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide (PubChem CID 46081404) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide
PubChem CID46081404
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide
SMILESCc1cc(C)cc(-c2ccc(-n3cncc3C(=O)NCC3COC(C)(C)O3)cc2)c1
InChIInChI=1S/C24H27N3O3/c1-16-9-17(2)11-19(10-16)18-5-7-20(8-6-18)27-15-25-13-22(27)23(28)26-12-21-14-29-24(3,4)30-21/h5-11,13,15,21H,12,14H2,1-4H3,(H,26,28)
InChIKeyFLCPMWXSTGXKOC-UHFFFAOYSA-N
XLogP4.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide (CID 46081404) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide is Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)NCC3COC(C)(C)O3)cc2)c1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is FLCPMWXSTGXKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-9-17(2)11-19(10-16)18-5-7-20(8-6-18)27-15-25-13-22(27)23(28)26-12-21-14-29-24(3,4)30-21/h5-11,13,15,21H,12,14H2,1-4H3,(H,26,28).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 46081404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).