1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea

C27H29N5O2 — CID 59387508

IUPAC1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C27H29N5O2/c1-20-12-8-9-17-23(20)30-26(34)29-18-10-11-19-32-24(33)27(31-25(32)28,21-13-4-2-5-14-21)22-15-6-3-7-16-22/h2-9,12-17H,10-11,18-19H2,1H3,(H2,28,31)(H2,29,30,34)
InChIKeyPSNMDOHOIVJJQQ-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.00
Rot. Bonds8

About 1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea

1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea (PubChem CID 59387508) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea
PubChem CID59387508
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/C27H29N5O2/c1-20-12-8-9-17-23(20)30-26(34)29-18-10-11-19-32-24(33)27(31-25(32)28,21-13-4-2-5-14-21)22-15-6-3-7-16-22/h2-9,12-17H,10-11,18-19H2,1H3,(H2,28,31)(H2,29,30,34)
InChIKeyPSNMDOHOIVJJQQ-UHFFFAOYSA-N
XLogP4.00
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-3-(2-fluorophenyl)urea
CID 11568495
trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide
CID 89005013
2-amino-5,5-diphenyl-3-(3-propan-2-yloxypropyl)imidazol-4-one
CID 59388082
1-[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]ethyl]-3-(2-methylphenyl)urea
CID 100575593
1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 108894217
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea
CID 20964116
1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889330
1-(2-methylphenyl)-3-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propyl]urea
CID 108890068
1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
CID 122280845
propan-2-yl N-[(2S)-8-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-3-oxo-1-phenyloctan-2-yl]carbamate
CID 153127699
(E)-2-methyl-5-[(2-methylphenyl)carbamoylamino]pent-2-enoic acid
CID 67620358
2-amino-3-[8-(3-fluorophenyl)-6-oxooctyl]-5,5-diphenylimidazol-4-one
CID 90943143

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea (CID 59387508) is 1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.
What is the InChIKey of 1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea?
The InChIKey is PSNMDOHOIVJJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-20-12-8-9-17-23(20)30-26(34)29-18-10-11-19-32-24(33)27(31-25(32)28,21-13-4-2-5-14-21)22-15-6-3-7-16-22/h2-9,12-17H,10-11,18-19H2,1H3,(H2,28,31)(H2,29,30,34).
What are the key properties of 1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea?
1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea has a molecular weight of 455.56 g/mol, XLogP of 4.00, 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-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 59387508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).