1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea

C19H21FN4O — CID 46286966

IUPAC1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCn1c(-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C19H21FN4O/c1-13(2)22-19(25)21-11-12-24-17-6-4-3-5-16(17)23-18(24)14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H2,21,22,25)
InChIKeyZVSPUXOLZWYVQK-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.55
Rot. Bonds5

About 1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea

1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea (PubChem CID 46286966) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea
PubChem CID46286966
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCn1c(-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C19H21FN4O/c1-13(2)22-19(25)21-11-12-24-17-6-4-3-5-16(17)23-18(24)14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H2,21,22,25)
InChIKeyZVSPUXOLZWYVQK-UHFFFAOYSA-N
XLogP3.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-butan-2-yl]-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 92865598
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46287017
1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287171
1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287172
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 20955716
2-(4-fluorophenyl)-1-hexadecylbenzimidazole
CID 19243176
2-(4-fluorophenyl)-1-hexylbenzimidazole
CID 19243183
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46286976
2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 19243215

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea (CID 46286966) is 1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCn1c(-c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea?
The InChIKey is ZVSPUXOLZWYVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13(2)22-19(25)21-11-12-24-17-6-4-3-5-16(17)23-18(24)14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea?
1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea has a molecular weight of 340.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 46286966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).