4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide

C24H23N5O2 — CID 90033864

IUPAC4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C)nc1-c1cc(C(=O)N2CC(c3ccc(C#N)cc3)C2)ccc1C
InChIInChI=1S/C24H23N5O2/c1-14-4-7-18(10-20(14)21-22(23(30)26-3)28-15(2)27-21)24(31)29-12-19(13-29)17-8-5-16(11-25)6-9-17/h4-10,19H,12-13H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyDZJZGOSIWDCQMQ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.16
Rot. Bonds4

About 4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide

4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide (PubChem CID 90033864) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
PubChem CID90033864
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C)nc1-c1cc(C(=O)N2CC(c3ccc(C#N)cc3)C2)ccc1C
InChIInChI=1S/C24H23N5O2/c1-14-4-7-18(10-20(14)21-22(23(30)26-3)28-15(2)27-21)24(31)29-12-19(13-29)17-8-5-16(11-25)6-9-17/h4-10,19H,12-13H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyDZJZGOSIWDCQMQ-UHFFFAOYSA-N
XLogP3.16
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide (CID 90033864) is 4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide is CNC(=O)c1[nH]c(C)nc1-c1cc(C(=O)N2CC(c3ccc(C#N)cc3)C2)ccc1C.
What is the InChIKey of 4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide?
The InChIKey is DZJZGOSIWDCQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-14-4-7-18(10-20(14)21-22(23(30)26-3)28-15(2)27-21)24(31)29-12-19(13-29)17-8-5-16(11-25)6-9-17/h4-10,19H,12-13H2,1-3H3,(H,26,30)(H,27,28).
What are the key properties of 4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide?
4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(4-cyanophenyl)azetidine-1-carbonyl]-2-methylphenyl]-N,2-dimethyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 90033864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).