1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea

C16H19N5O — CID 56823902

IUPAC1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea
SMILESCn1ccc2c(NC(=O)NCCCn3ccnc3)cccc21
InChIInChI=1S/C16H19N5O/c1-20-10-6-13-14(4-2-5-15(13)20)19-16(22)18-7-3-9-21-11-8-17-12-21/h2,4-6,8,10-12H,3,7,9H2,1H3,(H2,18,19,22)
InChIKeyIPDWLAKZWKGDDG-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.59
Rot. Bonds5

About 1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea

1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea (PubChem CID 56823902) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea
PubChem CID56823902
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea
SMILESCn1ccc2c(NC(=O)NCCCn3ccnc3)cccc21
InChIInChI=1S/C16H19N5O/c1-20-10-6-13-14(4-2-5-15(13)20)19-16(22)18-7-3-9-21-11-8-17-12-21/h2,4-6,8,10-12H,3,7,9H2,1H3,(H2,18,19,22)
InChIKeyIPDWLAKZWKGDDG-UHFFFAOYSA-N
XLogP2.59
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146
1-(3-chloro-2-methylsulfanylphenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 75374612
1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569650
N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3145465
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51162140
1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea
CID 60549695
1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
CID 86788667
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3107625
3-(2-imidazol-1-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743387
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea (CID 56823902) is 1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea is Cn1ccc2c(NC(=O)NCCCn3ccnc3)cccc21.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea?
The InChIKey is IPDWLAKZWKGDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-20-10-6-13-14(4-2-5-15(13)20)19-16(22)18-7-3-9-21-11-8-17-12-21/h2,4-6,8,10-12H,3,7,9H2,1H3,(H2,18,19,22).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea?
1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea has a molecular weight of 297.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea is sourced from PubChem (CID 56823902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).