1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea

C16H20N4O2 — CID 111618688

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)NCC1(CO)CC1
InChIInChI=1S/C16H20N4O2/c21-11-16(5-6-16)10-19-15(22)18-9-13-1-3-14(4-2-13)20-8-7-17-12-20/h1-4,7-8,12,21H,5-6,9-11H2,(H2,18,19,22)
InChIKeyAQITXJXUOQPDAM-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.44
Rot. Bonds6

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea (PubChem CID 111618688) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea
PubChem CID111618688
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)NCC1(CO)CC1
InChIInChI=1S/C16H20N4O2/c21-11-16(5-6-16)10-19-15(22)18-9-13-1-3-14(4-2-13)20-8-7-17-12-20/h1-4,7-8,12,21H,5-6,9-11H2,(H2,18,19,22)
InChIKeyAQITXJXUOQPDAM-UHFFFAOYSA-N
XLogP1.44
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea (CID 111618688) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea is O=C(NCc1ccc(-n2ccnc2)cc1)NCC1(CO)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea?
The InChIKey is AQITXJXUOQPDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-11-16(5-6-16)10-19-15(22)18-9-13-1-3-14(4-2-13)20-8-7-17-12-20/h1-4,7-8,12,21H,5-6,9-11H2,(H2,18,19,22).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea has a molecular weight of 300.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 111618688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).