3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea

C13H21N3O — CID 124509076

IUPAC3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea
SMILESCN(Cc1ccc[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C13H21N3O/c1-16(10-12-8-5-9-14-12)13(17)15-11-6-3-2-4-7-11/h5,8-9,11,14H,2-4,6-7,10H2,1H3,(H,15,17)
InChIKeyCWPVNBLSEKDVJH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.49
Rot. Bonds3

About 3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea

3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea (PubChem CID 124509076) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea
PubChem CID124509076
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea
SMILESCN(Cc1ccc[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C13H21N3O/c1-16(10-12-8-5-9-14-12)13(17)15-11-6-3-2-4-7-11/h5,8-9,11,14H,2-4,6-7,10H2,1H3,(H,15,17)
InChIKeyCWPVNBLSEKDVJH-UHFFFAOYSA-N
XLogP2.49
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 78799786
1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
CID 38220835
4-[methyl(1H-pyrrol-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165548
3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
CID 53184953
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115619023
4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide
CID 115151023
3-cyclohexyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095856
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide
CID 53123793
4-[methyl(1H-pyrrol-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149104

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea (CID 124509076) is 3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea is CN(Cc1ccc[nH]1)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea?
The InChIKey is CWPVNBLSEKDVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(10-12-8-5-9-14-12)13(17)15-11-6-3-2-4-7-11/h5,8-9,11,14H,2-4,6-7,10H2,1H3,(H,15,17).
What are the key properties of 3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea?
3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea has a molecular weight of 235.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-(1H-pyrrol-2-ylmethyl)urea is sourced from PubChem (CID 124509076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).