2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide

C21H24N4O — CID 11960733

IUPAC2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCN(CCc2ccccc2)C1
InChIInChI=1S/C21H24N4O/c1-21(11-13-25(14-21)12-10-15-6-3-2-4-7-15)20-23-17-9-5-8-16(19(22)26)18(17)24-20/h2-9H,10-14H2,1H3,(H2,22,26)(H,23,24)
InChIKeyJIMJKXHFKCOLAA-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.87
Rot. Bonds5

About 2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide

2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 11960733) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
PubChem CID11960733
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCN(CCc2ccccc2)C1
InChIInChI=1S/C21H24N4O/c1-21(11-13-25(14-21)12-10-15-6-3-2-4-7-15)20-23-17-9-5-8-16(19(22)26)18(17)24-20/h2-9H,10-14H2,1H3,(H2,22,26)(H,23,24)
InChIKeyJIMJKXHFKCOLAA-UHFFFAOYSA-N
XLogP2.87
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide (CID 11960733) is 2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide is CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCN(CCc2ccccc2)C1.
What is the InChIKey of 2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is JIMJKXHFKCOLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-21(11-13-25(14-21)12-10-15-6-3-2-4-7-15)20-23-17-9-5-8-16(19(22)26)18(17)24-20/h2-9H,10-14H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).