N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide

C22H25N5O2 — CID 24874800

IUPACN-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(CCC(N)=O)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C22H25N5O2/c1-22(2)9-7-15(8-10-22)17-11-14(4-6-19(24)28)3-5-18(17)27-21(29)20-25-13-16(12-23)26-20/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H2,24,28)(H,25,26)(H,27,29)
InChIKeyUCMNQANAVJHVEC-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.55
Rot. Bonds6

About N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide

N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (PubChem CID 24874800) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
PubChem CID24874800
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(CCC(N)=O)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C22H25N5O2/c1-22(2)9-7-15(8-10-22)17-11-14(4-6-19(24)28)3-5-18(17)27-21(29)20-25-13-16(12-23)26-20/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H2,24,28)(H,25,26)(H,27,29)
InChIKeyUCMNQANAVJHVEC-UHFFFAOYSA-N
XLogP3.55
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (CID 24874800) is N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2cc(CCC(N)=O)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The InChIKey is UCMNQANAVJHVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-22(2)9-7-15(8-10-22)17-11-14(4-6-19(24)28)3-5-18(17)27-21(29)20-25-13-16(12-23)26-20/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H2,24,28)(H,25,26)(H,27,29).
What are the key properties of N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24874800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).