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

C21H26Cl2N6O — CID 131875120

IUPAC1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride
SMILESCC1CN=C(c2ccc(NC(=O)Nc3ccc(C4=NCC(C)N4)cc3)cc2)N1.Cl.Cl
InChIInChI=1S/C21H24N6O.2ClH/c1-13-11-22-19(24-13)15-3-7-17(8-4-15)26-21(28)27-18-9-5-16(6-10-18)20-23-12-14(2)25-20;;/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)(H,23,25)(H2,26,27,28);2*1H
InChIKeyQJHRMNYZZAOUJY-UHFFFAOYSA-N
MW449.39 g/mol
LogP3.65
Rot. Bonds4

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

1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride (PubChem CID 131875120) has the molecular formula C21H26Cl2N6O and a molecular weight of 449.39 g/mol. Its IUPAC name is 1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride.

Molecular Properties

Compound Name1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride
PubChem CID131875120
Molecular FormulaC21H26Cl2N6O
Molecular Weight449.39 g/mol
Exact Mass448.15
IUPAC Name1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride
SMILESCC1CN=C(c2ccc(NC(=O)Nc3ccc(C4=NCC(C)N4)cc3)cc2)N1.Cl.Cl
InChIInChI=1S/C21H24N6O.2ClH/c1-13-11-22-19(24-13)15-3-7-17(8-4-15)26-21(28)27-18-9-5-16(6-10-18)20-23-12-14(2)25-20;;/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)(H,23,25)(H2,26,27,28);2*1H
InChIKeyQJHRMNYZZAOUJY-UHFFFAOYSA-N
XLogP3.65
TPSA89.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide
CID 99680015
1-N,4-N-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;methanesulfonic acid
CID 70695592
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide;hydrochloride
CID 44531278
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
5-methyl-N-pyridin-4-yl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902274
5-methyl-2-[4-(4-methylimidazolidin-1-ium-2-yl)phenyl]-4,5-dihydro-1H-imidazole
CID 58864852
1-[3-amino-5-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]-3-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea
CID 168914194
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-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide
CID 67012140
1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[9-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]nonyl]urea;hydrochloride
CID 54601394
1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-2-hydroxypropyl]urea;hydrochloride
CID 54603683
1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[7-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]heptyl]urea;hydrochloride
CID 54609528

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride?
The IUPAC name of 1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride (CID 131875120) is 1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride.
What is the SMILES notation for 1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride?
The canonical SMILES for 1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride is CC1CN=C(c2ccc(NC(=O)Nc3ccc(C4=NCC(C)N4)cc3)cc2)N1.Cl.Cl.
What is the InChIKey of 1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride?
The InChIKey is QJHRMNYZZAOUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O.2ClH/c1-13-11-22-19(24-13)15-3-7-17(8-4-15)26-21(28)27-18-9-5-16(6-10-18)20-23-12-14(2)25-20;;/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)(H,23,25)(H2,26,27,28);2*1H.
What are the key properties of 1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride?
1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride has a molecular weight of 449.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride is sourced from PubChem (CID 131875120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).