2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide

C22H33N5O — CID 18428071

IUPAC2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide
SMILESCCCN1CCC(c2nc3c(C(N)=O)cccc3n2CCN2CCCC2)CC1
InChIInChI=1S/C22H33N5O/c1-2-10-25-13-8-17(9-14-25)22-24-20-18(21(23)28)6-5-7-19(20)27(22)16-15-26-11-3-4-12-26/h5-7,17H,2-4,8-16H2,1H3,(H2,23,28)
InChIKeyJERMEAYDSIRPHN-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.82
Rot. Bonds7

About 2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide

2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide (PubChem CID 18428071) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide
PubChem CID18428071
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide
SMILESCCCN1CCC(c2nc3c(C(N)=O)cccc3n2CCN2CCCC2)CC1
InChIInChI=1S/C22H33N5O/c1-2-10-25-13-8-17(9-14-25)22-24-20-18(21(23)28)6-5-7-19(20)27(22)16-15-26-11-3-4-12-26/h5-7,17H,2-4,8-16H2,1H3,(H2,23,28)
InChIKeyJERMEAYDSIRPHN-UHFFFAOYSA-N
XLogP2.82
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide?
The IUPAC name of 2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide (CID 18428071) is 2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide is CCCN1CCC(c2nc3c(C(N)=O)cccc3n2CCN2CCCC2)CC1.
What is the InChIKey of 2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide?
The InChIKey is JERMEAYDSIRPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-2-10-25-13-8-17(9-14-25)22-24-20-18(21(23)28)6-5-7-19(20)27(22)16-15-26-11-3-4-12-26/h5-7,17H,2-4,8-16H2,1H3,(H2,23,28).
What are the key properties of 2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide?
2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 18428071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).