1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea

C16H16N4O — CID 66919843

IUPAC1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(C2=NCCN2)c1
InChIInChI=1S/C16H16N4O/c21-16(19-13-6-2-1-3-7-13)20-14-8-4-5-12(11-14)15-17-9-10-18-15/h1-8,11H,9-10H2,(H,17,18)(H2,19,20,21)
InChIKeyGRGWVDSWFSOAQR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.68
Rot. Bonds3

About 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea

1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea (PubChem CID 66919843) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
PubChem CID66919843
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(C2=NCCN2)c1
InChIInChI=1S/C16H16N4O/c21-16(19-13-6-2-1-3-7-13)20-14-8-4-5-12(11-14)15-17-9-10-18-15/h1-8,11H,9-10H2,(H,17,18)(H2,19,20,21)
InChIKeyGRGWVDSWFSOAQR-UHFFFAOYSA-N
XLogP2.68
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 20563379
CID 89119273
CID 89119273
1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]urea;hydrochloride
CID 54612096
N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]but-2-enediamide;dihydrochloride
CID 131880365
1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
CID 66919861
1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 66919885
1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
CID 66919884
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide
CID 82240196
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
CID 82252406
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 82252612
1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride
CID 131876826
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 82252428

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea (CID 66919843) is 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(C2=NCCN2)c1.
What is the InChIKey of 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea?
The InChIKey is GRGWVDSWFSOAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16(19-13-6-2-1-3-7-13)20-14-8-4-5-12(11-14)15-17-9-10-18-15/h1-8,11H,9-10H2,(H,17,18)(H2,19,20,21).
What are the key properties of 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea?
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea has a molecular weight of 280.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 66919843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).