2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

C26H32N8O2 — CID 69470399

IUPAC2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1
InChIInChI=1S/2C13H16N4O/c2*1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2*2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-;/m1./s1
InChIKeyBZEQUBREPSLRAG-BTQNPOSSSA-N
MW488.60 g/mol
LogP2.52
Rot. Bonds4

About 2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 69470399) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
PubChem CID69470399
Molecular FormulaC26H32N8O2
Molecular Weight488.60 g/mol
Exact Mass488.26
IUPAC Name2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1
InChIInChI=1S/2C13H16N4O/c2*1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2*2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-;/m1./s1
InChIKeyBZEQUBREPSLRAG-BTQNPOSSSA-N
XLogP2.52
TPSA167.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 52.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (CID 69470399) is 2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1.
What is the InChIKey of 2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is BZEQUBREPSLRAG-BTQNPOSSSA-N. The full InChI is InChI=1S/2C13H16N4O/c2*1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2*2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-;/m1./s1.
What are the key properties of 2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 488.60 g/mol, XLogP of 2.52, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide;2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 69470399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).