N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide

C20H32N4O2 — CID 145461386

IUPACN-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide
SMILESCCCC(=O)NCC1=CC=CC(CN2C(=O)C(C)(CC(C)C)N=C2N)C1
InChIInChI=1S/C20H32N4O2/c1-5-7-17(25)22-12-15-8-6-9-16(10-15)13-24-18(26)20(4,11-14(2)3)23-19(24)21/h6,8-9,14,16H,5,7,10-13H2,1-4H3,(H2,21,23)(H,22,25)
InChIKeyCOVUSVJKMLTEKO-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.37
Rot. Bonds8

About N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide

N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide (PubChem CID 145461386) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide
PubChem CID145461386
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide
SMILESCCCC(=O)NCC1=CC=CC(CN2C(=O)C(C)(CC(C)C)N=C2N)C1
InChIInChI=1S/C20H32N4O2/c1-5-7-17(25)22-12-15-8-6-9-16(10-15)13-24-18(26)20(4,11-14(2)3)23-19(24)21/h6,8-9,14,16H,5,7,10-13H2,1-4H3,(H2,21,23)(H,22,25)
InChIKeyCOVUSVJKMLTEKO-UHFFFAOYSA-N
XLogP2.37
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide?
The IUPAC name of N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide (CID 145461386) is N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide.
What is the SMILES notation for N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide?
The canonical SMILES for N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide is CCCC(=O)NCC1=CC=CC(CN2C(=O)C(C)(CC(C)C)N=C2N)C1.
What is the InChIKey of N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide?
The InChIKey is COVUSVJKMLTEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-5-7-17(25)22-12-15-8-6-9-16(10-15)13-24-18(26)20(4,11-14(2)3)23-19(24)21/h6,8-9,14,16H,5,7,10-13H2,1-4H3,(H2,21,23)(H,22,25).
What are the key properties of N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide?
N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide has a molecular weight of 360.50 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]cyclohexa-1,3-dien-1-yl]methyl]butanamide is sourced from PubChem (CID 145461386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).