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

C20H21N5O2 — CID 24759508

IUPACN-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C(N)=O)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C20H21N5O2/c1-20(2)7-5-12(6-8-20)15-9-13(17(22)26)3-4-16(15)25-19(27)18-23-11-14(10-21)24-18/h3-5,9,11H,6-8H2,1-2H3,(H2,22,26)(H,23,24)(H,25,27)
InChIKeySVIAQZKBNGIKHO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.23
Rot. Bonds4

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

N-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (PubChem CID 24759508) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
PubChem CID24759508
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C(N)=O)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C20H21N5O2/c1-20(2)7-5-12(6-8-20)15-9-13(17(22)26)3-4-16(15)25-19(27)18-23-11-14(10-21)24-18/h3-5,9,11H,6-8H2,1-2H3,(H2,22,26)(H,23,24)(H,25,27)
InChIKeySVIAQZKBNGIKHO-UHFFFAOYSA-N
XLogP3.23
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (CID 24759508) is N-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2cc(C(N)=O)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of N-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The InChIKey is SVIAQZKBNGIKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-20(2)7-5-12(6-8-20)15-9-13(17(22)26)3-4-16(15)25-19(27)18-23-11-14(10-21)24-18/h3-5,9,11H,6-8H2,1-2H3,(H2,22,26)(H,23,24)(H,25,27).
What are the key properties of N-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
N-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-carbamoyl-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24759508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).