3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide

C21H21FN4O — CID 130245278

IUPAC3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2[nH]1)c1cc2cc(F)ccc2n1C
InChIInChI=1S/C21H21FN4O/c1-13(19-12-14-11-15(22)7-8-18(14)26(19)2)23-21(27)10-9-20-24-16-5-3-4-6-17(16)25-20/h3-8,11-13H,9-10H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyPYIUIQGBARDEGC-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.00
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide (PubChem CID 130245278) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide
PubChem CID130245278
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2[nH]1)c1cc2cc(F)ccc2n1C
InChIInChI=1S/C21H21FN4O/c1-13(19-12-14-11-15(22)7-8-18(14)26(19)2)23-21(27)10-9-20-24-16-5-3-4-6-17(16)25-20/h3-8,11-13H,9-10H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyPYIUIQGBARDEGC-UHFFFAOYSA-N
XLogP4.00
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide (CID 130245278) is 3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide is CC(NC(=O)CCc1nc2ccccc2[nH]1)c1cc2cc(F)ccc2n1C.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide?
The InChIKey is PYIUIQGBARDEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-13(19-12-14-11-15(22)7-8-18(14)26(19)2)23-21(27)10-9-20-24-16-5-3-4-6-17(16)25-20/h3-8,11-13H,9-10H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide has a molecular weight of 364.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[1-(5-fluoro-1-methylindol-2-yl)ethyl]propanamide is sourced from PubChem (CID 130245278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).