[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C21H23N3O2 — CID 129428981

IUPAC[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4C[C@H]4c4ccco4)C3)[nH]c2c1
InChIInChI=1S/C21H23N3O2/c1-13-6-7-17-18(10-13)23-20(22-17)14-4-2-8-24(12-14)21(25)16-11-15(16)19-5-3-9-26-19/h3,5-7,9-10,14-16H,2,4,8,11-12H2,1H3,(H,22,23)/t14-,15-,16+/m1/s1
InChIKeyJXXXFWRLBXJTKC-OAGGEKHMSA-N
MW349.43 g/mol
LogP3.97
Rot. Bonds3

About [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 129428981) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID129428981
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4C[C@H]4c4ccco4)C3)[nH]c2c1
InChIInChI=1S/C21H23N3O2/c1-13-6-7-17-18(10-13)23-20(22-17)14-4-2-8-24(12-14)21(25)16-11-15(16)19-5-3-9-26-19/h3,5-7,9-10,14-16H,2,4,8,11-12H2,1H3,(H,22,23)/t14-,15-,16+/m1/s1
InChIKeyJXXXFWRLBXJTKC-OAGGEKHMSA-N
XLogP3.97
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 647639
(3S)-N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 7099391
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 97071724
2-methyl-1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 122137072
N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 3223990
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 99845766
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95382967
methyl 2-[[3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate
CID 3223984
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
1-(furan-2-yl)-2-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione
CID 99996532

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 129428981) is [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4C[C@H]4c4ccco4)C3)[nH]c2c1.
What is the InChIKey of [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is JXXXFWRLBXJTKC-OAGGEKHMSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-6-7-17-18(10-13)23-20(22-17)14-4-2-8-24(12-14)21(25)16-11-15(16)19-5-3-9-26-19/h3,5-7,9-10,14-16H,2,4,8,11-12H2,1H3,(H,22,23)/t14-,15-,16+/m1/s1.
What are the key properties of [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129428981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).