1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide

C18H26N4O — CID 18428172

IUPAC1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide
SMILESCCCN1CCC(c2nc3c(C(N)=O)cccc3n2C(C)C)C1
InChIInChI=1S/C18H26N4O/c1-4-9-21-10-8-13(11-21)18-20-16-14(17(19)23)6-5-7-15(16)22(18)12(2)3/h5-7,12-13H,4,8-11H2,1-3H3,(H2,19,23)
InChIKeyPNQXCGDQHBQCFT-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.92
Rot. Bonds5

About 1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide

1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide (PubChem CID 18428172) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide
PubChem CID18428172
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide
SMILESCCCN1CCC(c2nc3c(C(N)=O)cccc3n2C(C)C)C1
InChIInChI=1S/C18H26N4O/c1-4-9-21-10-8-13(11-21)18-20-16-14(17(19)23)6-5-7-15(16)22(18)12(2)3/h5-7,12-13H,4,8-11H2,1-3H3,(H2,19,23)
InChIKeyPNQXCGDQHBQCFT-UHFFFAOYSA-N
XLogP2.92
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide?
The IUPAC name of 1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide (CID 18428172) is 1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide is CCCN1CCC(c2nc3c(C(N)=O)cccc3n2C(C)C)C1.
What is the InChIKey of 1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide?
The InChIKey is PNQXCGDQHBQCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-9-21-10-8-13(11-21)18-20-16-14(17(19)23)6-5-7-15(16)22(18)12(2)3/h5-7,12-13H,4,8-11H2,1-3H3,(H2,19,23).
What are the key properties of 1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide?
1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide is sourced from PubChem (CID 18428172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).