1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea

C15H17N5O2 — CID 71898793

IUPAC1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea
SMILESO=C(NCC1CC1)NNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C15H17N5O2/c21-14(18-19-15(22)17-8-11-6-7-11)13-9-16-10-20(13)12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H,18,21)(H2,17,19,22)
InChIKeyHLZYVWMKUOFRHC-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.23
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea

1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea (PubChem CID 71898793) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea
PubChem CID71898793
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea
SMILESO=C(NCC1CC1)NNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C15H17N5O2/c21-14(18-19-15(22)17-8-11-6-7-11)13-9-16-10-20(13)12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H,18,21)(H2,17,19,22)
InChIKeyHLZYVWMKUOFRHC-UHFFFAOYSA-N
XLogP1.23
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide
CID 111459853
3-phenyl-N-(piperidin-3-ylmethyl)imidazole-4-carboxamide
CID 119464372
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N-(4-aminocyclohexyl)-3-phenylimidazole-4-carboxamide;dihydrochloride
CID 119478845
N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 31957371
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide
CID 42145677
1-benzamido-3-(cyclobutylmethyl)urea
CID 47254058
N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide
CID 17473757
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide
CID 35416761
7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea (CID 71898793) is 1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea is O=C(NCC1CC1)NNC(=O)c1cncn1-c1ccccc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea?
The InChIKey is HLZYVWMKUOFRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-14(18-19-15(22)17-8-11-6-7-11)13-9-16-10-20(13)12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H,18,21)(H2,17,19,22).
What are the key properties of 1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea?
1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea has a molecular weight of 299.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea is sourced from PubChem (CID 71898793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).