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

C19H20N6O — CID 21389

IUPAC1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
SMILESO=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
InChIInChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)
InChIKeySCEVFJUWLLRELN-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.03
Rot. Bonds4

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

1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (PubChem CID 21389) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
PubChem CID21389
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
SMILESO=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
InChIInChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)
InChIKeySCEVFJUWLLRELN-UHFFFAOYSA-N
XLogP2.03
TPSA89.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Antazoline
CID 2200
Imidocarb Dipropionate
CID 9983292
Imidocarb Hydrochloride
CID 21388
Amicarbalide
CID 72074
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-phenylurea
CID 24768227
(E)-3-[4-[(E)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-3-oxo-prop-1-enyl]phenyl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 6476900
1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride
CID 10247719
1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methylphenyl)-3-phenylurea
CID 1594702
Benzamide, N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)-3-((((4-(aminothioxomethyl)phenyl)amino)carbonyl)amino)-
CID 247952
1,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,4-diazepane
CID 480186
N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentane-1,5-diamine;dihydrochloride
CID 90664399
1,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperazine
CID 480184

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea?
The IUPAC name of 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (CID 21389) is 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea.
What is the SMILES notation for 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea?
The canonical SMILES for 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea is O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1.
What is the InChIKey of 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea?
The InChIKey is SCEVFJUWLLRELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26).
What are the key properties of 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea?
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea has a molecular weight of 348.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea is sourced from PubChem (CID 21389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).