N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide

C19H21F3N4O3 — CID 53191002

About N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide

N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide (PubChem CID 53191002) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide
• PubChem CID: 53191002
• Molecular Formula: C19H21F3N4O3
• Molecular Weight: 410.40 g/mol
• Exact Mass: 410.16
• IUPAC Name: N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide
• SMILES: CC(=O)NCc1nc2c(n1C)CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)CC2
• InChI: InChI=1S/C19H21F3N4O3/c1-12(27)23-10-17-24-15-7-8-26(11-16(15)25(17)2)18(28)9-13-3-5-14(6-4-13)29-19(20,21)22/h3-6H,7-11H2,1-2H3,(H,23,27)
• InChIKey: BIZHDWKSGQIBAY-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.40
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide?

The IUPAC name of N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide (CID 53191002) is N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide.

What is the SMILES notation for N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide?

The canonical SMILES for N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide is CC(=O)NCc1nc2c(n1C)CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)CC2.

What is the InChIKey of N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide?

The InChIKey is BIZHDWKSGQIBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-12(27)23-10-17-24-15-7-8-26(11-16(15)25(17)2)18(28)9-13-3-5-14(6-4-13)29-19(20,21)22/h3-6H,7-11H2,1-2H3,(H,23,27).

What are the key properties of N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide?

N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide has a molecular weight of 410.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide is sourced from PubChem (CID 53191002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).