2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide

C21H24N4O — CID 16665626

IUPAC2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1
InChIInChI=1S/C21H24N4O/c1-13(2)25-11-10-16(12-25)14-6-8-15(9-7-14)21-23-18-5-3-4-17(20(22)26)19(18)24-21/h3-9,13,16H,10-12H2,1-2H3,(H2,22,26)(H,23,24)
InChIKeyFHHGATHULHNWHK-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.53
Rot. Bonds4

About 2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide

2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 16665626) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID16665626
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1
InChIInChI=1S/C21H24N4O/c1-13(2)25-11-10-16(12-25)14-6-8-15(9-7-14)21-23-18-5-3-4-17(20(22)26)19(18)24-21/h3-9,13,16H,10-12H2,1-2H3,(H2,22,26)(H,23,24)
InChIKeyFHHGATHULHNWHK-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide (CID 16665626) is 2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide is CC(C)N1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1.
What is the InChIKey of 2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is FHHGATHULHNWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13(2)25-11-10-16(12-25)14-6-8-15(9-7-14)21-23-18-5-3-4-17(20(22)26)19(18)24-21/h3-9,13,16H,10-12H2,1-2H3,(H2,22,26)(H,23,24).
What are the key properties of 2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.53, 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-3-yl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 16665626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).