5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine

C21H26ClN5 — CID 68658202

IUPAC5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine
SMILESCN1CCC(CCCNc2ccc(-c3nc4ccccc4n3Cl)cn2)CC1
InChIInChI=1S/C21H26ClN5/c1-26-13-10-16(11-14-26)5-4-12-23-20-9-8-17(15-24-20)21-25-18-6-2-3-7-19(18)27(21)22/h2-3,6-9,15-16H,4-5,10-14H2,1H3,(H,23,24)
InChIKeyOGYCFWVZYGKKPQ-UHFFFAOYSA-N
MW383.93 g/mol
LogP4.63
Rot. Bonds6

About 5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine

5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine (PubChem CID 68658202) has the molecular formula C21H26ClN5 and a molecular weight of 383.93 g/mol. Its IUPAC name is 5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine
PubChem CID68658202
Molecular FormulaC21H26ClN5
Molecular Weight383.93 g/mol
Exact Mass383.19
IUPAC Name5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine
SMILESCN1CCC(CCCNc2ccc(-c3nc4ccccc4n3Cl)cn2)CC1
InChIInChI=1S/C21H26ClN5/c1-26-13-10-16(11-14-26)5-4-12-23-20-9-8-17(15-24-20)21-25-18-6-2-3-7-19(18)27(21)22/h2-3,6-9,15-16H,4-5,10-14H2,1H3,(H,23,24)
InChIKeyOGYCFWVZYGKKPQ-UHFFFAOYSA-N
XLogP4.63
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.93
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine?
The IUPAC name of 5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine (CID 68658202) is 5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine?
The canonical SMILES for 5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine is CN1CCC(CCCNc2ccc(-c3nc4ccccc4n3Cl)cn2)CC1.
What is the InChIKey of 5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine?
The InChIKey is OGYCFWVZYGKKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5/c1-26-13-10-16(11-14-26)5-4-12-23-20-9-8-17(15-24-20)21-25-18-6-2-3-7-19(18)27(21)22/h2-3,6-9,15-16H,4-5,10-14H2,1H3,(H,23,24).
What are the key properties of 5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine?
5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine has a molecular weight of 383.93 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chlorobenzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 68658202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).