1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea

C19H20N4O2 — CID 71898971

IUPAC1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCCn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C19H20N4O2/c1-13(24)15-7-9-16(10-8-15)22-19(25)20-11-12-23-14(2)21-17-5-3-4-6-18(17)23/h3-10H,11-12H2,1-2H3,(H2,20,22,25)
InChIKeyPKLMKCDSYOBKSK-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.37
Rot. Bonds5

About 1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea

1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea (PubChem CID 71898971) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
PubChem CID71898971
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCCn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C19H20N4O2/c1-13(24)15-7-9-16(10-8-15)22-19(25)20-11-12-23-14(2)21-17-5-3-4-6-18(17)23/h3-10H,11-12H2,1-2H3,(H2,20,22,25)
InChIKeyPKLMKCDSYOBKSK-UHFFFAOYSA-N
XLogP3.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide
CID 78893478
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825397
(E)-3-(4-acetamidophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
CID 31266525
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide
CID 78893496
1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 112825680
ethyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]propanoate
CID 46287068
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide
CID 55628913

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea (CID 71898971) is 1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea is CC(=O)c1ccc(NC(=O)NCCn2c(C)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The InChIKey is PKLMKCDSYOBKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(24)15-7-9-16(10-8-15)22-19(25)20-11-12-23-14(2)21-17-5-3-4-6-18(17)23/h3-10H,11-12H2,1-2H3,(H2,20,22,25).
What are the key properties of 1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea has a molecular weight of 336.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 71898971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).