2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide

C24H23N5O — CID 122182318

IUPAC2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(-c4cncc(CN5CCCC5)c4)cc3)nc12
InChIInChI=1S/C24H23N5O/c25-23(30)20-4-3-5-21-22(20)28-24(27-21)18-8-6-17(7-9-18)19-12-16(13-26-14-19)15-29-10-1-2-11-29/h3-9,12-14H,1-2,10-11,15H2,(H2,25,30)(H,27,28)
InChIKeyRASNXSKKZKQLSV-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.99
Rot. Bonds5

About 2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide

2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 122182318) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID122182318
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(-c4cncc(CN5CCCC5)c4)cc3)nc12
InChIInChI=1S/C24H23N5O/c25-23(30)20-4-3-5-21-22(20)28-24(27-21)18-8-6-17(7-9-18)19-12-16(13-26-14-19)15-29-10-1-2-11-29/h3-9,12-14H,1-2,10-11,15H2,(H2,25,30)(H,27,28)
InChIKeyRASNXSKKZKQLSV-UHFFFAOYSA-N
XLogP3.99
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide (CID 122182318) is 2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(-c4cncc(CN5CCCC5)c4)cc3)nc12.
What is the InChIKey of 2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is RASNXSKKZKQLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-23(30)20-4-3-5-21-22(20)28-24(27-21)18-8-6-17(7-9-18)19-12-16(13-26-14-19)15-29-10-1-2-11-29/h3-9,12-14H,1-2,10-11,15H2,(H2,25,30)(H,27,28).
What are the key properties of 2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 122182318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).