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

C21H23FN4O — CID 1454662

IUPAC1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)N(CCc1nc2ccccc2[nH]1)C1CCCC1
InChIInChI=1S/C21H23FN4O/c22-15-6-5-7-16(14-15)23-21(27)26(17-8-1-2-9-17)13-12-20-24-18-10-3-4-11-19(18)25-20/h3-7,10-11,14,17H,1-2,8-9,12-13H2,(H,23,27)(H,24,25)
InChIKeyHNWWEXCLLXFTAX-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.72
Rot. Bonds5

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

1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea (PubChem CID 1454662) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea
PubChem CID1454662
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)N(CCc1nc2ccccc2[nH]1)C1CCCC1
InChIInChI=1S/C21H23FN4O/c22-15-6-5-7-16(14-15)23-21(27)26(17-8-1-2-9-17)13-12-20-24-18-10-3-4-11-19(18)25-20/h3-7,10-11,14,17H,1-2,8-9,12-13H2,(H,23,27)(H,24,25)
InChIKeyHNWWEXCLLXFTAX-UHFFFAOYSA-N
XLogP4.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea (CID 1454662) is 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)N(CCc1nc2ccccc2[nH]1)C1CCCC1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea?
The InChIKey is HNWWEXCLLXFTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-15-6-5-7-16(14-15)23-21(27)26(17-8-1-2-9-17)13-12-20-24-18-10-3-4-11-19(18)25-20/h3-7,10-11,14,17H,1-2,8-9,12-13H2,(H,23,27)(H,24,25).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea?
1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea has a molecular weight of 366.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea is sourced from PubChem (CID 1454662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).