1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea

C15H19N3O — CID 53016552

IUPAC1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
SMILESCc1ccccc1NC(=O)N(C)Cc1cccn1C
InChIInChI=1S/C15H19N3O/c1-12-7-4-5-9-14(12)16-15(19)18(3)11-13-8-6-10-17(13)2/h4-10H,11H2,1-3H3,(H,16,19)
InChIKeyQCWBLKUWAIZIIZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.00
Rot. Bonds3

About 1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea

1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea (PubChem CID 53016552) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
PubChem CID53016552
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
SMILESCc1ccccc1NC(=O)N(C)Cc1cccn1C
InChIInChI=1S/C15H19N3O/c1-12-7-4-5-9-14(12)16-15(19)18(3)11-13-8-6-10-17(13)2/h4-10H,11H2,1-3H3,(H,16,19)
InChIKeyQCWBLKUWAIZIIZ-UHFFFAOYSA-N
XLogP3.00
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
CID 3884877
N-cyclopropyl-2-[(2-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3887367
2-[cyclopropyl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3603833
2-[butan-2-yl-[(2-methylphenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3644116
[2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate
CID 141249024
1-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-[(3S)-3-phenylbutyl]urea
CID 97019609
N-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopropanecarboxamide
CID 134792878
2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3606939
3-(2-methoxyphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-prop-2-enylurea
CID 42760139
N-cyclopropyl-2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3959665
N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3284665
N-butyl-2-[(2,3-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3476329

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea?
The IUPAC name of 1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea (CID 53016552) is 1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea is Cc1ccccc1NC(=O)N(C)Cc1cccn1C.
What is the InChIKey of 1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea?
The InChIKey is QCWBLKUWAIZIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-7-4-5-9-14(12)16-15(19)18(3)11-13-8-6-10-17(13)2/h4-10H,11H2,1-3H3,(H,16,19).
What are the key properties of 1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea?
1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea has a molecular weight of 257.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea is sourced from PubChem (CID 53016552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).