Skip to content

5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide

C21H25ClN4O2 — CID 86974330

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)NCCc2nc3ccccc3n2C(C)C)cc1Cl
InChIInChI=1S/C21H25ClN4O2/c1-13(2)26-18-8-6-5-7-17(18)25-19(26)9-10-23-20(27)15-11-16(22)21(24-12-15)28-14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,23,27)
InChIKeyCXTZHGACEBWPON-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.43
Rot. Bonds7

About 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide

5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 86974330) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID86974330
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)NCCc2nc3ccccc3n2C(C)C)cc1Cl
InChIInChI=1S/C21H25ClN4O2/c1-13(2)26-18-8-6-5-7-17(18)25-19(26)9-10-23-20(27)15-11-16(22)21(24-12-15)28-14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,23,27)
InChIKeyCXTZHGACEBWPON-UHFFFAOYSA-N
XLogP4.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 86974330) is 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ncc(C(=O)NCCc2nc3ccccc3n2C(C)C)cc1Cl.
What is the InChIKey of 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is CXTZHGACEBWPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-13(2)26-18-8-6-5-7-17(18)25-19(26)9-10-23-20(27)15-11-16(22)21(24-12-15)28-14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,23,27).
What are the key properties of 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide?
5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 86974330), 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

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

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.