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

C21H24FN5O2 — CID 53470261

IUPAC1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1ccccc1F
InChIInChI=1S/C21H24FN5O2/c22-16-5-1-2-6-17(16)24-20(28)23-11-14-26-12-9-15(10-13-26)27-19-8-4-3-7-18(19)25-21(27)29/h1-8,15H,9-14H2,(H,25,29)(H2,23,24,28)
InChIKeyFIDWBLQRPAVGJK-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.93
Rot. Bonds5

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

1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea (PubChem CID 53470261) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea
PubChem CID53470261
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1ccccc1F
InChIInChI=1S/C21H24FN5O2/c22-16-5-1-2-6-17(16)24-20(28)23-11-14-26-12-9-15(10-13-26)27-19-8-4-3-7-18(19)25-21(27)29/h1-8,15H,9-14H2,(H,25,29)(H2,23,24,28)
InChIKeyFIDWBLQRPAVGJK-UHFFFAOYSA-N
XLogP2.93
TPSA82.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428921
2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428849
ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate
CID 53470248
3-fluoro-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 53300658
3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 25105699
6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide
CID 53469989
2-amino-6-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 53470001
3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968540
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-8-carboxamide
CID 53470266
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea (CID 53470261) is 1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea is O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea?
The InChIKey is FIDWBLQRPAVGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c22-16-5-1-2-6-17(16)24-20(28)23-11-14-26-12-9-15(10-13-26)27-19-8-4-3-7-18(19)25-21(27)29/h1-8,15H,9-14H2,(H,25,29)(H2,23,24,28).
What are the key properties of 1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea?
1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea has a molecular weight of 397.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea is sourced from PubChem (CID 53470261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).