3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea

C25H24N4O2 — CID 1454656

IUPAC3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea
SMILESCC(=O)c1cccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccccc2)c1
InChIInChI=1S/C25H24N4O2/c1-18(30)20-10-7-11-21(16-20)26-25(31)29(17-19-8-3-2-4-9-19)15-14-24-27-22-12-5-6-13-23(22)28-24/h2-13,16H,14-15,17H2,1H3,(H,26,31)(H,27,28)
InChIKeyKUJGUNHBIYNEJY-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.04
Rot. Bonds7

About 3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea

3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea (PubChem CID 1454656) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea
PubChem CID1454656
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea
SMILESCC(=O)c1cccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccccc2)c1
InChIInChI=1S/C25H24N4O2/c1-18(30)20-10-7-11-21(16-20)26-25(31)29(17-19-8-3-2-4-9-19)15-14-24-27-22-12-5-6-13-23(22)28-24/h2-13,16H,14-15,17H2,1H3,(H,26,31)(H,27,28)
InChIKeyKUJGUNHBIYNEJY-UHFFFAOYSA-N
XLogP5.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(1H-benzimidazol-2-yl)ethyl-[(4-fluorophenyl)methyl]carbamoyl]amino]benzoic acid
CID 22300931
1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-phenylthiourea
CID 3789743
1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-(3-methoxyphenyl)thiourea
CID 3224022
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]urea
CID 1454622
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-(4-methoxyphenyl)thiourea
CID 3869629
N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468819
1-[(4-acetylphenyl)methyl]-3-(1H-benzimidazol-2-yl)-1-butylurea;propane
CID 143707986
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea
CID 1454662

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea?
The IUPAC name of 3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea (CID 1454656) is 3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea?
The canonical SMILES for 3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea is CC(=O)c1cccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccccc2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea?
The InChIKey is KUJGUNHBIYNEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18(30)20-10-7-11-21(16-20)26-25(31)29(17-19-8-3-2-4-9-19)15-14-24-27-22-12-5-6-13-23(22)28-24/h2-13,16H,14-15,17H2,1H3,(H,26,31)(H,27,28).
What are the key properties of 3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea?
3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea has a molecular weight of 412.49 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzylurea is sourced from PubChem (CID 1454656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).