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

C16H15Cl3N4O — CID 66919884

IUPAC1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
SMILESCl.O=C(Nc1cccc(C2=NCCN2)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N4O.ClH/c17-11-4-5-13(18)14(9-11)22-16(23)21-12-3-1-2-10(8-12)15-19-6-7-20-15;/h1-5,8-9H,6-7H2,(H,19,20)(H2,21,22,23);1H
InChIKeyKTSAZYOEXUOQFR-UHFFFAOYSA-N
MW385.68 g/mol
LogP4.41
Rot. Bonds3

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

1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride (PubChem CID 66919884) has the molecular formula C16H15Cl3N4O and a molecular weight of 385.68 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
PubChem CID66919884
Molecular FormulaC16H15Cl3N4O
Molecular Weight385.68 g/mol
Exact Mass384.03
IUPAC Name1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
SMILESCl.O=C(Nc1cccc(C2=NCCN2)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N4O.ClH/c17-11-4-5-13(18)14(9-11)22-16(23)21-12-3-1-2-10(8-12)15-19-6-7-20-15;/h1-5,8-9H,6-7H2,(H,19,20)(H2,21,22,23);1H
InChIKeyKTSAZYOEXUOQFR-UHFFFAOYSA-N
XLogP4.41
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 66919885
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 20563379
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
CID 66919843
1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
CID 66919861
CID 89119273
CID 89119273
2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252888
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-[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]-3,4-difluorobenzamide
CID 82252406
1-(2,5-dichlorophenyl)-3-(3-formylphenyl)urea
CID 106912821
2-(2,4-dichlorophenoxy)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82253139

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride (CID 66919884) is 1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride is Cl.O=C(Nc1cccc(C2=NCCN2)c1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride?
The InChIKey is KTSAZYOEXUOQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O.ClH/c17-11-4-5-13(18)14(9-11)22-16(23)21-12-3-1-2-10(8-12)15-19-6-7-20-15;/h1-5,8-9H,6-7H2,(H,19,20)(H2,21,22,23);1H.
What are the key properties of 1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride?
1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride has a molecular weight of 385.68 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride is sourced from PubChem (CID 66919884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).