[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C18H19N5O — CID 99871123

IUPAC[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N5O/c24-18(16-11-5-3-8-12(11)21-22-16)23-10-4-9-15(23)17-19-13-6-1-2-7-14(13)20-17/h1-2,6-7,15H,3-5,8-10H2,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyZKYSTVVEKQEUSZ-OAHLLOKOSA-N
MW321.38 g/mol
LogP2.75
Rot. Bonds2

About [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 99871123) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID99871123
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N5O/c24-18(16-11-5-3-8-12(11)21-22-16)23-10-4-9-15(23)17-19-13-6-1-2-7-14(13)20-17/h1-2,6-7,15H,3-5,8-10H2,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyZKYSTVVEKQEUSZ-OAHLLOKOSA-N
XLogP2.75
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 51269941
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 99994993
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975
(2-pyridin-4-ylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 102554294
2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136851165
2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136664971
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 94485262
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95752169

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 99871123) is [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is ZKYSTVVEKQEUSZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(16-11-5-3-8-12(11)21-22-16)23-10-4-9-15(23)17-19-13-6-1-2-7-14(13)20-17/h1-2,6-7,15H,3-5,8-10H2,(H,19,20)(H,21,22)/t15-/m1/s1.
What are the key properties of [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 99871123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).