2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide

C21H24N4O — CID 16665698

IUPAC2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
InChIInChI=1S/C21H24N4O/c1-13(2)25-12-4-7-18(25)14-8-10-15(11-9-14)21-23-17-6-3-5-16(20(22)26)19(17)24-21/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H2,22,26)(H,23,24)
InChIKeyPDFSCOZKVDOMRV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.87
Rot. Bonds4

About 2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide

2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 16665698) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID16665698
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
InChIInChI=1S/C21H24N4O/c1-13(2)25-12-4-7-18(25)14-8-10-15(11-9-14)21-23-17-6-3-5-16(20(22)26)19(17)24-21/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H2,22,26)(H,23,24)
InChIKeyPDFSCOZKVDOMRV-UHFFFAOYSA-N
XLogP3.87
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide (CID 16665698) is 2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide is CC(C)N1CCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is PDFSCOZKVDOMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13(2)25-12-4-7-18(25)14-8-10-15(11-9-14)21-23-17-6-3-5-16(20(22)26)19(17)24-21/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H2,22,26)(H,23,24).
What are the key properties of 2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-propan-2-ylpyrrolidin-2-yl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 16665698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).