3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone

C17H17N3O2 — CID 95629049

IUPAC3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@H]2CCCN2C(=O)c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C17H17N3O2/c1-11-4-7-16(22-11)15-3-2-8-20(15)17(21)12-5-6-13-14(9-12)19-10-18-13/h4-7,9-10,15H,2-3,8H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyPCOOQSLFBNHSBV-OAHLLOKOSA-N
MW295.34 g/mol
LogP3.44
Rot. Bonds2

About 3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone

3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 95629049) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
PubChem CID95629049
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@H]2CCCN2C(=O)c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C17H17N3O2/c1-11-4-7-16(22-11)15-3-2-8-20(15)17(21)12-5-6-13-14(9-12)19-10-18-13/h4-7,9-10,15H,2-3,8H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyPCOOQSLFBNHSBV-OAHLLOKOSA-N
XLogP3.44
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
3H-benzimidazol-5-yl-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
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3H-benzimidazol-5-yl-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 146024703
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 43582965
3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 43421691
3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607686
(4aS,9aR)-1-(3H-benzimidazole-5-carbonyl)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-6-carboxylic acid
CID 67223016
5-[2-(5-methylfuran-2-yl)azepane-1-carbonyl]-2,3-dihydroisoindol-1-one
CID 154845862
1-(3H-benzimidazole-5-carbonyl)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-6-carboxamide
CID 67224212
methyl (4aR,9aS)-1-(3H-benzimidazole-5-carbonyl)-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridine-7-carboxylate
CID 67223493
3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone
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1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone (CID 95629049) is 3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone is Cc1ccc([C@H]2CCCN2C(=O)c2ccc3nc[nH]c3c2)o1.
What is the InChIKey of 3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is PCOOQSLFBNHSBV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-4-7-16(22-11)15-3-2-8-20(15)17(21)12-5-6-13-14(9-12)19-10-18-13/h4-7,9-10,15H,2-3,8H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone?
3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 295.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95629049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).