PZAIHYBBWQDNAM-UHFFFAOYSA-N

Name: PZAIHYBBWQDNAM-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₁H₃₂F₂N₈O — CID 66571131

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methyl-4-pyridinyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

SMILESCc1cc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)ccn1

InChIInChI=1S/C31H32F2N8O/c1-20-18-21(12-13-34-20)23-9-5-4-8-22(23)19-31(2,3)39-28-36-29(40-14-16-42-17-15-40)38-30(37-28)41-25-11-7-6-10-24(25)35-27(41)26(32)33/h4-13,18,26H,14-17,19H2,1-3H3,(H,36,37,38,39)

InChIKeyPZAIHYBBWQDNAM-UHFFFAOYSA-N

MW570.65 g/mol

LogP5.79

Rot. Bonds8

About PZAIHYBBWQDNAM-UHFFFAOYSA-N

PZAIHYBBWQDNAM-UHFFFAOYSA-N (PubChem CID 66571131) has the molecular formula C₃₁H₃₂F₂N₈O and a molecular weight of 570.65 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methyl-4-pyridinyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name	PZAIHYBBWQDNAM-UHFFFAOYSA-N
PubChem CID	66571131
Molecular Formula	C₃₁H₃₂F₂N₈O
Molecular Weight	570.65 g/mol
Exact Mass	570.27
IUPAC Name	4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methyl-4-pyridinyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILES	Cc1cc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)ccn1
InChI	InChI=1S/C31H32F2N8O/c1-20-18-21(12-13-34-20)23-9-5-4-8-22(23)19-31(2,3)39-28-36-29(40-14-16-42-17-15-40)38-30(37-28)41-25-11-7-6-10-24(25)35-27(41)26(32)33/h4-13,18,26H,14-17,19H2,1-3H3,(H,36,37,38,39)
InChIKey	PZAIHYBBWQDNAM-UHFFFAOYSA-N
XLogP	5.79
TPSA	93.88 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	8
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.65
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of PZAIHYBBWQDNAM-UHFFFAOYSA-N?

The IUPAC name of PZAIHYBBWQDNAM-UHFFFAOYSA-N (CID 66571131) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(2-methyl-4-pyridinyl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

What is the SMILES notation for PZAIHYBBWQDNAM-UHFFFAOYSA-N?

The canonical SMILES for PZAIHYBBWQDNAM-UHFFFAOYSA-N is Cc1cc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)ccn1.

What is the InChIKey of PZAIHYBBWQDNAM-UHFFFAOYSA-N?

The InChIKey is PZAIHYBBWQDNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N8O/c1-20-18-21(12-13-34-20)23-9-5-4-8-22(23)19-31(2,3)39-28-36-29(40-14-16-42-17-15-40)38-30(37-28)41-25-11-7-6-10-24(25)35-27(41)26(32)33/h4-13,18,26H,14-17,19H2,1-3H3,(H,36,37,38,39).

What are the key properties of PZAIHYBBWQDNAM-UHFFFAOYSA-N?

PZAIHYBBWQDNAM-UHFFFAOYSA-N has a molecular weight of 570.65 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for PZAIHYBBWQDNAM-UHFFFAOYSA-N is sourced from PubChem (CID 66571131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 66571131 — identifiers, structure, computed properties (public domain)

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