2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide

C17H24N4O — CID 25190751

IUPAC2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1C(C)C
InChIInChI=1S/C17H24N4O/c1-4-17(9-6-10-21(17)11(2)3)16-19-13-8-5-7-12(15(18)22)14(13)20-16/h5,7-8,11H,4,6,9-10H2,1-3H3,(H2,18,22)(H,19,20)
InChIKeyXHKSZQPKWNRLCP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.77
Rot. Bonds4

About 2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide

2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25190751) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25190751
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1C(C)C
InChIInChI=1S/C17H24N4O/c1-4-17(9-6-10-21(17)11(2)3)16-19-13-8-5-7-12(15(18)22)14(13)20-16/h5,7-8,11H,4,6,9-10H2,1-3H3,(H2,18,22)(H,19,20)
InChIKeyXHKSZQPKWNRLCP-UHFFFAOYSA-N
XLogP2.77
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide (CID 25190751) is 2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide is CCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1C(C)C.
What is the InChIKey of 2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is XHKSZQPKWNRLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-17(9-6-10-21(17)11(2)3)16-19-13-8-5-7-12(15(18)22)14(13)20-16/h5,7-8,11H,4,6,9-10H2,1-3H3,(H2,18,22)(H,19,20).
What are the key properties of 2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).