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

C23H29ClN8O3 — CID 54603683

IUPAC1-[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
SMILESCl.O=C(NCC(O)CNC(=O)Nc1ccc(C2=NCCN2)cc1)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C23H28N8O3.ClH/c32-19(13-28-22(33)30-17-5-1-15(2-6-17)20-24-9-10-25-20)14-29-23(34)31-18-7-3-16(4-8-18)21-26-11-12-27-21;/h1-8,19,32H,9-14H2,(H,24,25)(H,26,27)(H2,28,30,33)(H2,29,31,34);1H
InChIKeyCDEXQKWIZNQCNK-UHFFFAOYSA-N
MW500.99 g/mol
LogP1.11
Rot. Bonds8

About 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

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 (PubChem CID 54603683) has the molecular formula C23H29ClN8O3 and a molecular weight of 500.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID54603683
Molecular FormulaC23H29ClN8O3
Molecular Weight500.99 g/mol
Exact Mass500.21
IUPAC Name1-[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
SMILESCl.O=C(NCC(O)CNC(=O)Nc1ccc(C2=NCCN2)cc1)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C23H28N8O3.ClH/c32-19(13-28-22(33)30-17-5-1-15(2-6-17)20-24-9-10-25-20)14-29-23(34)31-18-7-3-16(4-8-18)21-26-11-12-27-21;/h1-8,19,32H,9-14H2,(H,24,25)(H,26,27)(H2,28,30,33)(H2,29,31,34);1H
InChIKeyCDEXQKWIZNQCNK-UHFFFAOYSA-N
XLogP1.11
TPSA151.27 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.99
LogP ≤ 51.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cl.O=C(NCC(O)CNC(=O)Nc1ccc(C2=NCCN2)cc1)Nc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 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?
The InChIKey is CDEXQKWIZNQCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O3.ClH/c32-19(13-28-22(33)30-17-5-1-15(2-6-17)20-24-9-10-25-20)14-29-23(34)31-18-7-3-16(4-8-18)21-26-11-12-27-21;/h1-8,19,32H,9-14H2,(H,24,25)(H,26,27)(H2,28,30,33)(H2,29,31,34);1H.
What are the key properties of 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?
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 has a molecular weight of 500.99 g/mol, XLogP of 1.11, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54603683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).