NLMGMXJWPGQEMK-UHFFFAOYSA-N

C₂₃H₁₇F₂N₅S — CID 90466662

About NLMGMXJWPGQEMK-UHFFFAOYSA-N

NLMGMXJWPGQEMK-UHFFFAOYSA-N (PubChem CID 90466662) has the molecular formula C₂₃H₁₇F₂N₅S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: NLMGMXJWPGQEMK-UHFFFAOYSA-N
• PubChem CID: 90466662
• Molecular Formula: C₂₃H₁₇F₂N₅S
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.12
• IUPAC Name: N-[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
• SMILES: Cc1cc2[nH]c(-c3cccc(C(F)F)c3)nc2cc1Nc1nc(-c2ccncc2)cs1
• InChI: InChI=1S/C23H17F2N5S/c1-13-9-18-19(28-22(27-18)16-4-2-3-15(10-16)21(24)25)11-17(13)29-23-30-20(12-31-23)14-5-7-26-8-6-14/h2-12,21H,1H3,(H,27,28)(H,29,30)
• InChIKey: NLMGMXJWPGQEMK-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazole_amine_M(1)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of NLMGMXJWPGQEMK-UHFFFAOYSA-N (CID 90466662) is N-[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine.

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

The canonical SMILES for NLMGMXJWPGQEMK-UHFFFAOYSA-N is Cc1cc2[nH]c(-c3cccc(C(F)F)c3)nc2cc1Nc1nc(-c2ccncc2)cs1.

What is the InChIKey of NLMGMXJWPGQEMK-UHFFFAOYSA-N?

The InChIKey is NLMGMXJWPGQEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5S/c1-13-9-18-19(28-22(27-18)16-4-2-3-15(10-16)21(24)25)11-17(13)29-23-30-20(12-31-23)14-5-7-26-8-6-14/h2-12,21H,1H3,(H,27,28)(H,29,30).

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

NLMGMXJWPGQEMK-UHFFFAOYSA-N has a molecular weight of 433.49 g/mol, XLogP of 6.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for NLMGMXJWPGQEMK-UHFFFAOYSA-N is sourced from PubChem (CID 90466662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90466662 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.