4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide

C21H21FN4O2 — CID 21428906

IUPAC4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c22-16-7-5-15(6-8-16)20(27)23-11-14-25-12-9-17(10-13-25)26-19-4-2-1-3-18(19)24-21(26)28/h1-9H,10-14H2,(H,23,27)(H,24,28)
InChIKeyXDNTZTWRXOTBGC-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.45
Rot. Bonds5

About 4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide

4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide (PubChem CID 21428906) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide
PubChem CID21428906
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O2/c22-16-7-5-15(6-8-16)20(27)23-11-14-25-12-9-17(10-13-25)26-19-4-2-1-3-18(19)24-21(26)28/h1-9H,10-14H2,(H,23,27)(H,24,28)
InChIKeyXDNTZTWRXOTBGC-UHFFFAOYSA-N
XLogP2.45
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide (CID 21428906) is 4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide is O=C(NCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide?
The InChIKey is XDNTZTWRXOTBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-16-7-5-15(6-8-16)20(27)23-11-14-25-12-9-17(10-13-25)26-19-4-2-1-3-18(19)24-21(26)28/h1-9H,10-14H2,(H,23,27)(H,24,28).
What are the key properties of 4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide?
4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide has a molecular weight of 380.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide is sourced from PubChem (CID 21428906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).