1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea

C22H19FN4O — CID 46382289

IUPAC1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)Nc1ccccc1F
InChIInChI=1S/C22H19FN4O/c23-17-5-1-2-6-18(17)27-22(28)24-16-12-9-15(10-13-16)11-14-21-25-19-7-3-4-8-20(19)26-21/h1-10,12-13H,11,14H2,(H,25,26)(H2,24,27,28)
InChIKeyONBCFHLLPVBLTL-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.13
Rot. Bonds5

About 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea

1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea (PubChem CID 46382289) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea
PubChem CID46382289
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)Nc1ccccc1F
InChIInChI=1S/C22H19FN4O/c23-17-5-1-2-6-18(17)27-22(28)24-16-12-9-15(10-13-16)11-14-21-25-19-7-3-4-8-20(19)26-21/h1-10,12-13H,11,14H2,(H,25,26)(H2,24,27,28)
InChIKeyONBCFHLLPVBLTL-UHFFFAOYSA-N
XLogP5.13
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea
CID 50825327
ethyl 2-[4-[[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]carbamoylamino]phenyl]acetate
CID 46382279
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 20972638
1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea
CID 155114131
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 46290554
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46290599
3-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-N-hydroxyprop-2-enamide
CID 75030713
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
CID 27449333
4-[[2-(1H-benzimidazol-2-yl)ethyl-[(4-fluorophenyl)methyl]carbamoyl]amino]benzoic acid
CID 22300931

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea (CID 46382289) is 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea is O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)Nc1ccccc1F.
What is the InChIKey of 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea?
The InChIKey is ONBCFHLLPVBLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-17-5-1-2-6-18(17)27-22(28)24-16-12-9-15(10-13-16)11-14-21-25-19-7-3-4-8-20(19)26-21/h1-10,12-13H,11,14H2,(H,25,26)(H2,24,27,28).
What are the key properties of 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea?
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea has a molecular weight of 374.42 g/mol, XLogP of 5.13, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 46382289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).