[6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone

C21H29N3O3 — CID 46909908

IUPAC[6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2nc3ccc(OCC4CC4)cc3[nH]2)CC1
InChIInChI=1S/C21H29N3O3/c1-21(2,26)12-14-7-9-24(10-8-14)20(25)19-22-17-6-5-16(11-18(17)23-19)27-13-15-3-4-15/h5-6,11,14-15,26H,3-4,7-10,12-13H2,1-2H3,(H,22,23)
InChIKeyJKDHBNNFTJYLFZ-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.36
Rot. Bonds6

About [6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone

[6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone (PubChem CID 46909908) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is [6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
PubChem CID46909908
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name[6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2nc3ccc(OCC4CC4)cc3[nH]2)CC1
InChIInChI=1S/C21H29N3O3/c1-21(2,26)12-14-7-9-24(10-8-14)20(25)19-22-17-6-5-16(11-18(17)23-19)27-13-15-3-4-15/h5-6,11,14-15,26H,3-4,7-10,12-13H2,1-2H3,(H,22,23)
InChIKeyJKDHBNNFTJYLFZ-UHFFFAOYSA-N
XLogP3.36
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 46909812
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-nitro-1H-benzimidazol-2-yl)methanone
CID 70848897
(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 59529905
(3-bromo-5-butoxy-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848312
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanone
CID 46909814
(4,6-dimethoxy-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848115
(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848386
(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 25210768
tert-butyl 4-[(3-amino-1,2,4-benzotriazin-6-yl)oxymethyl]piperidine-1-carboxylate
CID 69318255
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 70848684
3-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 70848758
4-[[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166600547

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone (CID 46909908) is [6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone is CC(C)(O)CC1CCN(C(=O)c2nc3ccc(OCC4CC4)cc3[nH]2)CC1.
What is the InChIKey of [6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The InChIKey is JKDHBNNFTJYLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-21(2,26)12-14-7-9-24(10-8-14)20(25)19-22-17-6-5-16(11-18(17)23-19)27-13-15-3-4-15/h5-6,11,14-15,26H,3-4,7-10,12-13H2,1-2H3,(H,22,23).
What are the key properties of [6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
[6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone has a molecular weight of 371.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 46909908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).