5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide

C20H23N5O — CID 118725843

IUPAC5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)nc1
InChIInChI=1S/C20H23N5O/c1-15-8-9-17(21-14-15)19(26)23-20-22-16-6-2-3-7-18(16)25(20)13-12-24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,23,26)
InChIKeyXCTOSBRBVBUSSI-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.09
Rot. Bonds5

About 5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide

5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide (PubChem CID 118725843) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
PubChem CID118725843
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)nc1
InChIInChI=1S/C20H23N5O/c1-15-8-9-17(21-14-15)19(26)23-20-22-16-6-2-3-7-18(16)25(20)13-12-24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,23,26)
InChIKeyXCTOSBRBVBUSSI-UHFFFAOYSA-N
XLogP3.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide (CID 118725843) is 5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide is Cc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)nc1.
What is the InChIKey of 5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
The InChIKey is XCTOSBRBVBUSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-8-9-17(21-14-15)19(26)23-20-22-16-6-2-3-7-18(16)25(20)13-12-24-10-4-5-11-24/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,23,26).
What are the key properties of 5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118725843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).