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

C19H21ClN6O — CID 23618391

IUPAC1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
SMILESCl.O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
InChIInChI=1S/C19H20N6O.ClH/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);1H
InChIKeyGVJFSRMMRNKTMI-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.45
Rot. Bonds4

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

1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride (PubChem CID 23618391) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride.

Molecular Properties

Compound Name1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
PubChem CID23618391
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC Name1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
SMILESCl.O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
InChIInChI=1S/C19H20N6O.ClH/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);1H
InChIKeyGVJFSRMMRNKTMI-UHFFFAOYSA-N
XLogP2.45
TPSA89.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride?
The IUPAC name of 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride (CID 23618391) is 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride.
What is the SMILES notation for 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride?
The canonical SMILES for 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride is Cl.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;hydrochloride?
The InChIKey is GVJFSRMMRNKTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O.ClH/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);1H.
What are the key properties of 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride?
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride has a molecular weight of 384.87 g/mol, XLogP of 2.45, 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;hydrochloride is sourced from PubChem (CID 23618391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).