N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide

C18H25ClN4O — CID 72904285

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
SMILESCN1CCCC(CCC(=O)NCCc2nc3ccc(Cl)cc3[nH]2)C1
InChIInChI=1S/C18H25ClN4O/c1-23-10-2-3-13(12-23)4-7-18(24)20-9-8-17-21-15-6-5-14(19)11-16(15)22-17/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyZAFHQDDQTAXCLW-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide (PubChem CID 72904285) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
PubChem CID72904285
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
SMILESCN1CCCC(CCC(=O)NCCc2nc3ccc(Cl)cc3[nH]2)C1
InChIInChI=1S/C18H25ClN4O/c1-23-10-2-3-13(12-23)4-7-18(24)20-9-8-17-21-15-6-5-14(19)11-16(15)22-17/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyZAFHQDDQTAXCLW-UHFFFAOYSA-N
XLogP3.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide (CID 72904285) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide is CN1CCCC(CCC(=O)NCCc2nc3ccc(Cl)cc3[nH]2)C1.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide?
The InChIKey is ZAFHQDDQTAXCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-23-10-2-3-13(12-23)4-7-18(24)20-9-8-17-21-15-6-5-14(19)11-16(15)22-17/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide has a molecular weight of 348.88 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 72904285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).