1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea

C20H21N5O2 — CID 166211543

IUPAC1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
SMILESCc1ccc(C(=O)NNC(=O)Nc2ccc(Cn3ccnc3)cc2)c(C)c1
InChIInChI=1S/C20H21N5O2/c1-14-3-8-18(15(2)11-14)19(26)23-24-20(27)22-17-6-4-16(5-7-17)12-25-10-9-21-13-25/h3-11,13H,12H2,1-2H3,(H,23,26)(H2,22,24,27)
InChIKeyCYBMHMGJFBFYDX-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.01
Rot. Bonds4

About 1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea

1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea (PubChem CID 166211543) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
PubChem CID166211543
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
SMILESCc1ccc(C(=O)NNC(=O)Nc2ccc(Cn3ccnc3)cc2)c(C)c1
InChIInChI=1S/C20H21N5O2/c1-14-3-8-18(15(2)11-14)19(26)23-24-20(27)22-17-6-4-16(5-7-17)12-25-10-9-21-13-25/h3-11,13H,12H2,1-2H3,(H,23,26)(H2,22,24,27)
InChIKeyCYBMHMGJFBFYDX-UHFFFAOYSA-N
XLogP3.01
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.01
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-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94014126
N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46766795
N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 155945580
4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 60541926
1-[4-(imidazol-1-ylmethyl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 86933282
2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide
CID 55664564
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 37423259
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea (CID 166211543) is 1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea is Cc1ccc(C(=O)NNC(=O)Nc2ccc(Cn3ccnc3)cc2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea?
The InChIKey is CYBMHMGJFBFYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-3-8-18(15(2)11-14)19(26)23-24-20(27)22-17-6-4-16(5-7-17)12-25-10-9-21-13-25/h3-11,13H,12H2,1-2H3,(H,23,26)(H2,22,24,27).
What are the key properties of 1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea?
1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea has a molecular weight of 363.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 166211543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).