(2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide

C21H21FN4O — CID 125158817

IUPAC(2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2c1CCC2)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C21H21FN4O/c22-14-9-10-17-18(12-14)24-20(23-17)19-8-3-11-26(19)21(27)25-16-7-2-5-13-4-1-6-15(13)16/h2,5,7,9-10,12,19H,1,3-4,6,8,11H2,(H,23,24)(H,25,27)/t19-/m1/s1
InChIKeyVKAXQDDYZQJIOR-LJQANCHMSA-N
MW364.42 g/mol
LogP4.56
Rot. Bonds2

About (2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide

(2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 125158817) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID125158817
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name(2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2c1CCC2)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C21H21FN4O/c22-14-9-10-17-18(12-14)24-20(23-17)19-8-3-11-26(19)21(27)25-16-7-2-5-13-4-1-6-15(13)16/h2,5,7,9-10,12,19H,1,3-4,6,8,11H2,(H,23,24)(H,25,27)/t19-/m1/s1
InChIKeyVKAXQDDYZQJIOR-LJQANCHMSA-N
XLogP4.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 95874157
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
CID 72839937
3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 146024720
3H-benzimidazol-5-yl-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 146024703
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 125159765
2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 99976246
(Z)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(3-fluorophenyl)but-2-en-1-one
CID 86933498
2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95897263
(2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 126441068
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 95893859
2-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 49118752

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide (CID 125158817) is (2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1cccc2c1CCC2)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of (2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is VKAXQDDYZQJIOR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-14-9-10-17-18(12-14)24-20(23-17)19-8-3-11-26(19)21(27)25-16-7-2-5-13-4-1-6-15(13)16/h2,5,7,9-10,12,19H,1,3-4,6,8,11H2,(H,23,24)(H,25,27)/t19-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide?
(2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 125158817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).