2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide

C19H22N6O — CID 23433115

IUPAC2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccnc(NCCN4CCCC4)c3)nc12
InChIInChI=1S/C19H22N6O/c20-18(26)14-4-3-5-15-17(14)24-19(23-15)13-6-7-21-16(12-13)22-8-11-25-9-1-2-10-25/h3-7,12H,1-2,8-11H2,(H2,20,26)(H,21,22)(H,23,24)
InChIKeyOFIYSYCENZRDIH-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.23
Rot. Bonds6

About 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide

2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide (PubChem CID 23433115) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide
PubChem CID23433115
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccnc(NCCN4CCCC4)c3)nc12
InChIInChI=1S/C19H22N6O/c20-18(26)14-4-3-5-15-17(14)24-19(23-15)13-6-7-21-16(12-13)22-8-11-25-9-1-2-10-25/h3-7,12H,1-2,8-11H2,(H2,20,26)(H,21,22)(H,23,24)
InChIKeyOFIYSYCENZRDIH-UHFFFAOYSA-N
XLogP2.23
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide (CID 23433115) is 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccnc(NCCN4CCCC4)c3)nc12.
What is the InChIKey of 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is OFIYSYCENZRDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c20-18(26)14-4-3-5-15-17(14)24-19(23-15)13-6-7-21-16(12-13)22-8-11-25-9-1-2-10-25/h3-7,12H,1-2,8-11H2,(H2,20,26)(H,21,22)(H,23,24).
What are the key properties of 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide?
2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyrrolidin-1-ylethylamino)-4-pyridinyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 23433115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).