1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea

C14H17ClN4O — CID 75521301

IUPAC1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea
SMILESCc1cc(CNC(=O)NCCn2ccnc2)ccc1Cl
InChIInChI=1S/C14H17ClN4O/c1-11-8-12(2-3-13(11)15)9-18-14(20)17-5-7-19-6-4-16-10-19/h2-4,6,8,10H,5,7,9H2,1H3,(H2,17,18,20)
InChIKeyZXDFPWBRKDWLNL-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.34
Rot. Bonds5

About 1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea

1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea (PubChem CID 75521301) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea
PubChem CID75521301
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea
SMILESCc1cc(CNC(=O)NCCn2ccnc2)ccc1Cl
InChIInChI=1S/C14H17ClN4O/c1-11-8-12(2-3-13(11)15)9-18-14(20)17-5-7-19-6-4-16-10-19/h2-4,6,8,10H,5,7,9H2,1H3,(H2,17,18,20)
InChIKeyZXDFPWBRKDWLNL-UHFFFAOYSA-N
XLogP2.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea
CID 131998616
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
N-[(3,4-dichlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61069624
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
2-[(2-imidazol-1-ylethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325207
4-(2-imidazol-1-ylethylcarbamoylamino)-3-methylbenzoic acid
CID 61461928
5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 35294139
2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47061387
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
N-[3-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoylamino]-4-methylphenyl]propanamide
CID 86994529
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide
CID 55924710

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea?
The IUPAC name of 1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea (CID 75521301) is 1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea.
What is the SMILES notation for 1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea?
The canonical SMILES for 1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea is Cc1cc(CNC(=O)NCCn2ccnc2)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea?
The InChIKey is ZXDFPWBRKDWLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-11-8-12(2-3-13(11)15)9-18-14(20)17-5-7-19-6-4-16-10-19/h2-4,6,8,10H,5,7,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea?
1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea has a molecular weight of 292.77 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea is sourced from PubChem (CID 75521301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).