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

C24H29N5O2 — CID 24875272

IUPACN-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C3(N)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C24H29N5O2/c1-23(2)7-5-16(6-8-23)19-13-17(24(26)9-11-31-12-10-24)3-4-20(19)29-22(30)21-27-15-18(14-25)28-21/h3-5,13,15H,6-12,26H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyGOIKZFAIJSSESM-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.09
Rot. Bonds4

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

N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (PubChem CID 24875272) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
PubChem CID24875272
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C3(N)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C24H29N5O2/c1-23(2)7-5-16(6-8-23)19-13-17(24(26)9-11-31-12-10-24)3-4-20(19)29-22(30)21-27-15-18(14-25)28-21/h3-5,13,15H,6-12,26H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyGOIKZFAIJSSESM-UHFFFAOYSA-N
XLogP4.09
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (CID 24875272) is N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2cc(C3(N)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The InChIKey is GOIKZFAIJSSESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-23(2)7-5-16(6-8-23)19-13-17(24(26)9-11-31-12-10-24)3-4-20(19)29-22(30)21-27-15-18(14-25)28-21/h3-5,13,15H,6-12,26H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24875272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).