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

C17H18Cl2N4O — CID 66919861

IUPAC1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
SMILESCc1ccc(NC(=O)Nc2cccc(C3=NCCN3)c2)cc1Cl.Cl
InChIInChI=1S/C17H17ClN4O.ClH/c1-11-5-6-14(10-15(11)18)22-17(23)21-13-4-2-3-12(9-13)16-19-7-8-20-16;/h2-6,9-10H,7-8H2,1H3,(H,19,20)(H2,21,22,23);1H
InChIKeyUTSWRCQGJUJDSG-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.06
Rot. Bonds3

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

1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride (PubChem CID 66919861) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
PubChem CID66919861
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
SMILESCc1ccc(NC(=O)Nc2cccc(C3=NCCN3)c2)cc1Cl.Cl
InChIInChI=1S/C17H17ClN4O.ClH/c1-11-5-6-14(10-15(11)18)22-17(23)21-13-4-2-3-12(9-13)16-19-7-8-20-16;/h2-6,9-10H,7-8H2,1H3,(H,19,20)(H2,21,22,23);1H
InChIKeyUTSWRCQGJUJDSG-UHFFFAOYSA-N
XLogP4.06
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.06
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
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
CID 66919843
1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
CID 66919884
1-(2,5-dichlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 66919885
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
1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
CID 70940291
N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]but-2-enediamide;dihydrochloride
CID 131880365
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387989
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]formamide;1-[4-(N,N'-dimethylcarbamimidoyl)phenyl]-3-[4-methyl-3-(methylamino)phenyl]urea
CID 144752068

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride (CID 66919861) is 1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride is Cc1ccc(NC(=O)Nc2cccc(C3=NCCN3)c2)cc1Cl.Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride?
The InChIKey is UTSWRCQGJUJDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O.ClH/c1-11-5-6-14(10-15(11)18)22-17(23)21-13-4-2-3-12(9-13)16-19-7-8-20-16;/h2-6,9-10H,7-8H2,1H3,(H,19,20)(H2,21,22,23);1H.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride?
1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride has a molecular weight of 365.26 g/mol, XLogP of 4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride is sourced from PubChem (CID 66919861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).