1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide

C18H23ClN4O2S — CID 7829588

IUPAC1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide
SMILESCCCn1c(SCC(=O)N2CCC(C(N)=O)CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C18H23ClN4O2S/c1-2-7-23-15-4-3-13(19)10-14(15)21-18(23)26-11-16(24)22-8-5-12(6-9-22)17(20)25/h3-4,10,12H,2,5-9,11H2,1H3,(H2,20,25)
InChIKeyBOHBAYNWHYQVTG-UHFFFAOYSA-N
MW394.93 g/mol
LogP2.92
Rot. Bonds6

About 1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide

1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide (PubChem CID 7829588) has the molecular formula C18H23ClN4O2S and a molecular weight of 394.93 g/mol. Its IUPAC name is 1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide
PubChem CID7829588
Molecular FormulaC18H23ClN4O2S
Molecular Weight394.93 g/mol
Exact Mass394.12
IUPAC Name1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide
SMILESCCCn1c(SCC(=O)N2CCC(C(N)=O)CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C18H23ClN4O2S/c1-2-7-23-15-4-3-13(19)10-14(15)21-18(23)26-11-16(24)22-8-5-12(6-9-22)17(20)25/h3-4,10,12H,2,5-9,11H2,1H3,(H2,20,25)
InChIKeyBOHBAYNWHYQVTG-UHFFFAOYSA-N
XLogP2.92
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.93
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide (CID 7829588) is 1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide is CCCn1c(SCC(=O)N2CCC(C(N)=O)CC2)nc2cc(Cl)ccc21.
What is the InChIKey of 1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
The InChIKey is BOHBAYNWHYQVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2S/c1-2-7-23-15-4-3-13(19)10-14(15)21-18(23)26-11-16(24)22-8-5-12(6-9-22)17(20)25/h3-4,10,12H,2,5-9,11H2,1H3,(H2,20,25).
What are the key properties of 1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide has a molecular weight of 394.93 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 7829588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).