1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea

C25H35N5O2 — CID 163863509

IUPAC1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea
SMILESCC(C)CC1(C)N=C(N)N(Cc2ccc(CNC(=O)NC(C)C3=CC=CCC3)cc2)C1=O
InChIInChI=1S/C25H35N5O2/c1-17(2)14-25(4)22(31)30(23(26)29-25)16-20-12-10-19(11-13-20)15-27-24(32)28-18(3)21-8-6-5-7-9-21/h5-6,8,10-13,17-18H,7,9,14-16H2,1-4H3,(H2,26,29)(H2,27,28,32)
InChIKeyPEPWYICBUAOCND-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.61
Rot. Bonds8

About 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea

1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea (PubChem CID 163863509) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea.

Molecular Properties

Compound Name1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea
PubChem CID163863509
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea
SMILESCC(C)CC1(C)N=C(N)N(Cc2ccc(CNC(=O)NC(C)C3=CC=CCC3)cc2)C1=O
InChIInChI=1S/C25H35N5O2/c1-17(2)14-25(4)22(31)30(23(26)29-25)16-20-12-10-19(11-13-20)15-27-24(32)28-18(3)21-8-6-5-7-9-21/h5-6,8,10-13,17-18H,7,9,14-16H2,1-4H3,(H2,26,29)(H2,27,28,32)
InChIKeyPEPWYICBUAOCND-UHFFFAOYSA-N
XLogP3.61
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea with MolForge

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Related Compounds

1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea
CID 163620731
1-[[4-[[2-amino-4-(cyclohexa-1,3-dien-1-ylmethyl)-4-methyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(3-methoxyphenyl)urea
CID 70325803
2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 162544157
2-amino-5-methyl-5-(2-methylpropyl)-3-[[4-(2-oxo-4-phenylbutyl)phenyl]methyl]imidazol-4-one
CID 58425126
2-amino-3-[[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 143244517
3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide
CID 58425093
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea
CID 70141504
1-[[4-[[2-amino-4-hydroxy-5-methyl-5-(2-methylpropyl)-4H-imidazol-3-yl]methyl]phenyl]methyl]-3-pentan-3-ylurea
CID 163815002
2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one
CID 58425166
2-amino-3-[[4-[4-(2,3-dichlorophenyl)-3-oxobutyl]-3-fluorophenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 58425323
CID 145460572
CID 145460572
2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-[2-(4-pentylphenyl)sulfonylethyl]phenyl]methyl]imidazol-4-one
CID 70118336

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea?
The IUPAC name of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea (CID 163863509) is 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea.
What is the SMILES notation for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea?
The canonical SMILES for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea is CC(C)CC1(C)N=C(N)N(Cc2ccc(CNC(=O)NC(C)C3=CC=CCC3)cc2)C1=O.
What is the InChIKey of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea?
The InChIKey is PEPWYICBUAOCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-17(2)14-25(4)22(31)30(23(26)29-25)16-20-12-10-19(11-13-20)15-27-24(32)28-18(3)21-8-6-5-7-9-21/h5-6,8,10-13,17-18H,7,9,14-16H2,1-4H3,(H2,26,29)(H2,27,28,32).
What are the key properties of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea?
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea has a molecular weight of 437.59 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea is sourced from PubChem (CID 163863509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).