1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea

C18H24N4O — CID 71931711

IUPAC1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea
SMILESO=C(NCCCCn1ccnc1)NCC1CC1c1ccccc1
InChIInChI=1S/C18H24N4O/c23-18(20-8-4-5-10-22-11-9-19-14-22)21-13-16-12-17(16)15-6-2-1-3-7-15/h1-3,6-7,9,11,14,16-17H,4-5,8,10,12-13H2,(H2,20,21,23)
InChIKeyYZBWAPVYEWKGML-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.77
Rot. Bonds8

About 1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea

1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea (PubChem CID 71931711) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea
PubChem CID71931711
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea
SMILESO=C(NCCCCn1ccnc1)NCC1CC1c1ccccc1
InChIInChI=1S/C18H24N4O/c23-18(20-8-4-5-10-22-11-9-19-14-22)21-13-16-12-17(16)15-6-2-1-3-7-15/h1-3,6-7,9,11,14,16-17H,4-5,8,10,12-13H2,(H2,20,21,23)
InChIKeyYZBWAPVYEWKGML-UHFFFAOYSA-N
XLogP2.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoylamino]butanoic acid
CID 122015490
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
CID 110443115
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
1-(3-imidazol-1-ylpropyl)-3-[[(2S)-thiolan-2-yl]methyl]urea
CID 97084844
1-[(2-phenylcyclopropyl)methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 75422962
trans-(1S,2S)-N-(3-imidazol-1-ylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 97084572
6-(2-imidazol-1-ylethylcarbamoylamino)hexanoic acid
CID 61461843
1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081607
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea
CID 51083645

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea (CID 71931711) is 1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea is O=C(NCCCCn1ccnc1)NCC1CC1c1ccccc1.
What is the InChIKey of 1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea?
The InChIKey is YZBWAPVYEWKGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c23-18(20-8-4-5-10-22-11-9-19-14-22)21-13-16-12-17(16)15-6-2-1-3-7-15/h1-3,6-7,9,11,14,16-17H,4-5,8,10,12-13H2,(H2,20,21,23).
What are the key properties of 1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea?
1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea has a molecular weight of 312.42 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 71931711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).