KTELPIYYKPZNJT-UHFFFAOYSA-N

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

C₂₇H₂₇ClN₄O₂ — CID 11691398

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

IUPAC2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide

SMILESNC(=O)c1ccc2nc(-c3ccc(OCC4CCCN(Cc5ccc(Cl)cc5)C4)cc3)[nH]c2c1

InChIInChI=1S/C27H27ClN4O2/c28-22-8-3-18(4-9-22)15-32-13-1-2-19(16-32)17-34-23-10-5-20(6-11-23)27-30-24-12-7-21(26(29)33)14-25(24)31-27/h3-12,14,19H,1-2,13,15-17H2,(H2,29,33)(H,30,31)

InChIKeyKTELPIYYKPZNJT-UHFFFAOYSA-N

MW474.99 g/mol

LogP5.27

Rot. Bonds7

About KTELPIYYKPZNJT-UHFFFAOYSA-N

KTELPIYYKPZNJT-UHFFFAOYSA-N (PubChem CID 11691398) has the molecular formula C₂₇H₂₇ClN₄O₂ and a molecular weight of 474.99 g/mol. Its IUPAC name is 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name	KTELPIYYKPZNJT-UHFFFAOYSA-N
PubChem CID	11691398
Molecular Formula	C₂₇H₂₇ClN₄O₂
Molecular Weight	474.99 g/mol
Exact Mass	474.18
IUPAC Name	2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILES	NC(=O)c1ccc2nc(-c3ccc(OCC4CCCN(Cc5ccc(Cl)cc5)C4)cc3)[nH]c2c1
InChI	InChI=1S/C27H27ClN4O2/c28-22-8-3-18(4-9-22)15-32-13-1-2-19(16-32)17-34-23-10-5-20(6-11-23)27-30-24-12-7-21(26(29)33)14-25(24)31-27/h3-12,14,19H,1-2,13,15-17H2,(H2,29,33)(H,30,31)
InChIKey	KTELPIYYKPZNJT-UHFFFAOYSA-N
XLogP	5.27
TPSA	84.24 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.99
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of KTELPIYYKPZNJT-UHFFFAOYSA-N (CID 11691398) is 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide.

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

The canonical SMILES for KTELPIYYKPZNJT-UHFFFAOYSA-N is NC(=O)c1ccc2nc(-c3ccc(OCC4CCCN(Cc5ccc(Cl)cc5)C4)cc3)[nH]c2c1.

What is the InChIKey of KTELPIYYKPZNJT-UHFFFAOYSA-N?

The InChIKey is KTELPIYYKPZNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O2/c28-22-8-3-18(4-9-22)15-32-13-1-2-19(16-32)17-34-23-10-5-20(6-11-23)27-30-24-12-7-21(26(29)33)14-25(24)31-27/h3-12,14,19H,1-2,13,15-17H2,(H2,29,33)(H,30,31).

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

KTELPIYYKPZNJT-UHFFFAOYSA-N has a molecular weight of 474.99 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for KTELPIYYKPZNJT-UHFFFAOYSA-N is sourced from PubChem (CID 11691398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 11691398 — identifiers, structure, computed properties (public domain)

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