GLCKTEYNDNNBID-QHCPKHFHSA-N

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

C₂₇H₂₅F₃N₄O₅S — CID 126555725

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

IUPAC1-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[4-(trifluoromethyl)phenoxy]benzimidazole-5-carboxamide

SMILESCCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(Oc2ccc(C(F)(F)F)cc2)n3C2CC2)nc1

InChIInChI=1S/C27H25F3N4O5S/c1-2-40(37,38)20-10-11-21(31-14-20)23(15-35)32-25(36)16-3-12-24-22(13-16)33-26(34(24)18-6-7-18)39-19-8-4-17(5-9-19)27(28,29)30/h3-5,8-14,18,23,35H,2,6-7,15H2,1H3,(H,32,36)/t23-/m0/s1

InChIKeyGLCKTEYNDNNBID-QHCPKHFHSA-N

MW574.58 g/mol

LogP4.83

Rot. Bonds9

About GLCKTEYNDNNBID-QHCPKHFHSA-N

GLCKTEYNDNNBID-QHCPKHFHSA-N (PubChem CID 126555725) has the molecular formula C₂₇H₂₅F₃N₄O₅S and a molecular weight of 574.58 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[4-(trifluoromethyl)phenoxy]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name	GLCKTEYNDNNBID-QHCPKHFHSA-N
PubChem CID	126555725
Molecular Formula	C₂₇H₂₅F₃N₄O₅S
Molecular Weight	574.58 g/mol
Exact Mass	574.15
IUPAC Name	1-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[4-(trifluoromethyl)phenoxy]benzimidazole-5-carboxamide
SMILES	CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(Oc2ccc(C(F)(F)F)cc2)n3C2CC2)nc1
InChI	InChI=1S/C27H25F3N4O5S/c1-2-40(37,38)20-10-11-21(31-14-20)23(15-35)32-25(36)16-3-12-24-22(13-16)33-26(34(24)18-6-7-18)39-19-8-4-17(5-9-19)27(28,29)30/h3-5,8-14,18,23,35H,2,6-7,15H2,1H3,(H,32,36)/t23-/m0/s1
InChIKey	GLCKTEYNDNNBID-QHCPKHFHSA-N
XLogP	4.83
TPSA	123.41 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.58
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of GLCKTEYNDNNBID-QHCPKHFHSA-N?

The IUPAC name of GLCKTEYNDNNBID-QHCPKHFHSA-N (CID 126555725) is 1-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[4-(trifluoromethyl)phenoxy]benzimidazole-5-carboxamide.

What is the SMILES notation for GLCKTEYNDNNBID-QHCPKHFHSA-N?

The canonical SMILES for GLCKTEYNDNNBID-QHCPKHFHSA-N is CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3c(c2)nc(Oc2ccc(C(F)(F)F)cc2)n3C2CC2)nc1.

What is the InChIKey of GLCKTEYNDNNBID-QHCPKHFHSA-N?

The InChIKey is GLCKTEYNDNNBID-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H25F3N4O5S/c1-2-40(37,38)20-10-11-21(31-14-20)23(15-35)32-25(36)16-3-12-24-22(13-16)33-26(34(24)18-6-7-18)39-19-8-4-17(5-9-19)27(28,29)30/h3-5,8-14,18,23,35H,2,6-7,15H2,1H3,(H,32,36)/t23-/m0/s1.

What are the key properties of GLCKTEYNDNNBID-QHCPKHFHSA-N?

GLCKTEYNDNNBID-QHCPKHFHSA-N has a molecular weight of 574.58 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for GLCKTEYNDNNBID-QHCPKHFHSA-N is sourced from PubChem (CID 126555725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 126555725 — identifiers, structure, computed properties (public domain)

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