2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide

C20H21FN4O — CID 11961002

IUPAC2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H21FN4O/c1-20(9-10-25(12-20)11-13-5-2-3-7-15(13)21)19-23-16-8-4-6-14(18(22)26)17(16)24-19/h2-8H,9-12H2,1H3,(H2,22,26)(H,23,24)
InChIKeyBCCUYXQTHHGUHR-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.96
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide

2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 11961002) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
PubChem CID11961002
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H21FN4O/c1-20(9-10-25(12-20)11-13-5-2-3-7-15(13)21)19-23-16-8-4-6-14(18(22)26)17(16)24-19/h2-8H,9-12H2,1H3,(H2,22,26)(H,23,24)
InChIKeyBCCUYXQTHHGUHR-UHFFFAOYSA-N
XLogP2.96
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide (CID 11961002) is 2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide is CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCN(Cc2ccccc2F)C1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is BCCUYXQTHHGUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-20(9-10-25(12-20)11-13-5-2-3-7-15(13)21)19-23-16-8-4-6-14(18(22)26)17(16)24-19/h2-8H,9-12H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11961002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).