2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide

C20H21FN4O — CID 155530549

IUPAC2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide
SMILESC[C@@]1(c2nc3c(C(N)=O)c(F)ccc3[nH]2)CCCN1Cc1ccccc1
InChIInChI=1S/C20H21FN4O/c1-20(10-5-11-25(20)12-13-6-3-2-4-7-13)19-23-15-9-8-14(21)16(18(22)26)17(15)24-19/h2-4,6-9H,5,10-12H2,1H3,(H2,22,26)(H,23,24)/t20-/m0/s1
InChIKeyGDHNESWELSMZFD-FQEVSTJZSA-N
MW352.41 g/mol
LogP3.31
Rot. Bonds4

About 2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide

2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide (PubChem CID 155530549) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide
PubChem CID155530549
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide
SMILESC[C@@]1(c2nc3c(C(N)=O)c(F)ccc3[nH]2)CCCN1Cc1ccccc1
InChIInChI=1S/C20H21FN4O/c1-20(10-5-11-25(20)12-13-6-3-2-4-7-13)19-23-15-9-8-14(21)16(18(22)26)17(15)24-19/h2-4,6-9H,5,10-12H2,1H3,(H2,22,26)(H,23,24)/t20-/m0/s1
InChIKeyGDHNESWELSMZFD-FQEVSTJZSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide
CID 155535594
2-(1-benzyl-2-methylpyrrolidin-2-yl)-1,3-benzoxazole-4-carboxamide
CID 68627071
2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 11960920
5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide
CID 155566808
[5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]methanone
CID 118127208
6-chloro-2-[(2S)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
CID 11961097
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 155553076
2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 11960736
1-benzyl-2-methyl-2-propan-2-ylpyrrolidine
CID 163258380
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide
CID 141341800

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide (CID 155530549) is 2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide is C[C@@]1(c2nc3c(C(N)=O)c(F)ccc3[nH]2)CCCN1Cc1ccccc1.
What is the InChIKey of 2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide?
The InChIKey is GDHNESWELSMZFD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-20(10-5-11-25(20)12-13-6-3-2-4-7-13)19-23-15-9-8-14(21)16(18(22)26)17(15)24-19/h2-4,6-9H,5,10-12H2,1H3,(H2,22,26)(H,23,24)/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide?
2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 155530549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).