[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone

C24H30N4O3 — CID 94363736

IUPAC[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone
SMILESCCc1oc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1CN1CCOCC1
InChIInChI=1S/C24H30N4O3/c1-2-21-17(16-27-11-13-30-14-12-27)15-22(31-21)24(29)28-10-6-5-9-20(28)23-25-18-7-3-4-8-19(18)26-23/h3-4,7-8,15,20H,2,5-6,9-14,16H2,1H3,(H,25,26)/t20-/m1/s1
InChIKeySLTNDJSBFFALOC-HXUWFJFHSA-N
MW422.53 g/mol
LogP3.92
Rot. Bonds5

About [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone

[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone (PubChem CID 94363736) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone
PubChem CID94363736
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone
SMILESCCc1oc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1CN1CCOCC1
InChIInChI=1S/C24H30N4O3/c1-2-21-17(16-27-11-13-30-14-12-27)15-22(31-21)24(29)28-10-6-5-9-20(28)23-25-18-7-3-4-8-19(18)26-23/h3-4,7-8,15,20H,2,5-6,9-14,16H2,1H3,(H,25,26)/t20-/m1/s1
InChIKeySLTNDJSBFFALOC-HXUWFJFHSA-N
XLogP3.92
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(morpholin-4-ylmethyl)furan-2-yl]methanone
CID 95807889
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 40921065
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 97149553
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124986227
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 95807248
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide
CID 128697477
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 51269941
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone
CID 126425803
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 99994993

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone (CID 94363736) is [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone is CCc1oc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1CN1CCOCC1.
What is the InChIKey of [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone?
The InChIKey is SLTNDJSBFFALOC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-2-21-17(16-27-11-13-30-14-12-27)15-22(31-21)24(29)28-10-6-5-9-20(28)23-25-18-7-3-4-8-19(18)26-23/h3-4,7-8,15,20H,2,5-6,9-14,16H2,1H3,(H,25,26)/t20-/m1/s1.
What are the key properties of [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone?
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone has a molecular weight of 422.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 94363736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).