2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide

C24H21N5O2 — CID 122182310

IUPAC2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)N5CCCC5)nc4)cc3)nc12
InChIInChI=1S/C24H21N5O2/c25-22(30)18-4-3-5-19-21(18)28-23(27-19)16-8-6-15(7-9-16)17-10-11-20(26-14-17)24(31)29-12-1-2-13-29/h3-11,14H,1-2,12-13H2,(H2,25,30)(H,27,28)
InChIKeyFGYMYGOISDHDDF-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.63
Rot. Bonds4

About 2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide

2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 122182310) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID122182310
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)N5CCCC5)nc4)cc3)nc12
InChIInChI=1S/C24H21N5O2/c25-22(30)18-4-3-5-19-21(18)28-23(27-19)16-8-6-15(7-9-16)17-10-11-20(26-14-17)24(31)29-12-1-2-13-29/h3-11,14H,1-2,12-13H2,(H2,25,30)(H,27,28)
InChIKeyFGYMYGOISDHDDF-UHFFFAOYSA-N
XLogP3.63
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide (CID 122182310) is 2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)N5CCCC5)nc4)cc3)nc12.
What is the InChIKey of 2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is FGYMYGOISDHDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c25-22(30)18-4-3-5-19-21(18)28-23(27-19)16-8-6-15(7-9-16)17-10-11-20(26-14-17)24(31)29-12-1-2-13-29/h3-11,14H,1-2,12-13H2,(H2,25,30)(H,27,28).
What are the key properties of 2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 122182310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).