1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea

C18H20N6O3 — CID 10523047

IUPAC1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea
SMILESCc1[nH]c(=O)[nH]c1C(=O)c1ccc(NC(=O)NCCCc2cnc[nH]2)cc1
InChIInChI=1S/C18H20N6O3/c1-11-15(24-18(27)22-11)16(25)12-4-6-13(7-5-12)23-17(26)20-8-2-3-14-9-19-10-21-14/h4-7,9-10H,2-3,8H2,1H3,(H,19,21)(H2,20,23,26)(H2,22,24,27)
InChIKeyJULLWHBHAROCEC-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.72
Rot. Bonds7

About 1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea

1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea (PubChem CID 10523047) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea
PubChem CID10523047
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea
SMILESCc1[nH]c(=O)[nH]c1C(=O)c1ccc(NC(=O)NCCCc2cnc[nH]2)cc1
InChIInChI=1S/C18H20N6O3/c1-11-15(24-18(27)22-11)16(25)12-4-6-13(7-5-12)23-17(26)20-8-2-3-14-9-19-10-21-14/h4-7,9-10H,2-3,8H2,1H3,(H,19,21)(H2,20,23,26)(H2,22,24,27)
InChIKeyJULLWHBHAROCEC-UHFFFAOYSA-N
XLogP1.72
TPSA135.53 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
CID 139185524
1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea
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1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 65231540
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CID 13499406
1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231550
1-[3-(1H-imidazol-5-yl)propyl]-3-propylthiourea
CID 10398801
ethyl 4-[3-(1H-imidazol-5-yl)propanoylamino]benzoate
CID 110697987
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 118776043
1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13499378
3-(1H-imidazol-5-yl)propyl N-(4-chlorophenyl)carbamate
CID 10062176

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea?
The IUPAC name of 1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea (CID 10523047) is 1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea is Cc1[nH]c(=O)[nH]c1C(=O)c1ccc(NC(=O)NCCCc2cnc[nH]2)cc1.
What is the InChIKey of 1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea?
The InChIKey is JULLWHBHAROCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-11-15(24-18(27)22-11)16(25)12-4-6-13(7-5-12)23-17(26)20-8-2-3-14-9-19-10-21-14/h4-7,9-10H,2-3,8H2,1H3,(H,19,21)(H2,20,23,26)(H2,22,24,27).
What are the key properties of 1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea?
1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea has a molecular weight of 368.40 g/mol, XLogP of 1.72, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-5-yl)propyl]-3-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]urea is sourced from PubChem (CID 10523047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).