[3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone

C22H25N3O2 — CID 126447935

IUPAC[3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@H]1CCCN(C(=O)c2cccc(-c3ccc4nc[nH]c4c3)c2)C1
InChIInChI=1S/C22H25N3O2/c1-2-11-27-19-7-4-10-25(14-19)22(26)18-6-3-5-16(12-18)17-8-9-20-21(13-17)24-15-23-20/h3,5-6,8-9,12-13,15,19H,2,4,7,10-11,14H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyQOVXQMDGYLQNMC-IBGZPJMESA-N
MW363.46 g/mol
LogP4.26
Rot. Bonds5

About [3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone

[3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone (PubChem CID 126447935) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
PubChem CID126447935
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@H]1CCCN(C(=O)c2cccc(-c3ccc4nc[nH]c4c3)c2)C1
InChIInChI=1S/C22H25N3O2/c1-2-11-27-19-7-4-10-25(14-19)22(26)18-6-3-5-16(12-18)17-8-9-20-21(13-17)24-15-23-20/h3,5-6,8-9,12-13,15,19H,2,4,7,10-11,14H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyQOVXQMDGYLQNMC-IBGZPJMESA-N
XLogP4.26
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone with MolForge

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Related Compounds

2-[3-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]pyridine-4-carboxylic acid
CID 125163547
(3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide
CID 126448856
[(3S)-3-propoxypiperidin-1-yl]-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone
CID 125440514
4-[3-(3-propoxypiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 122571890
(3-propoxypiperidin-1-yl)-(3-pyrazolo[1,5-a]pyridin-3-ylphenyl)methanone
CID 122558431
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 95339891
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
3H-benzimidazol-5-yl-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95290365
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117

Frequently Asked Questions

What is the IUPAC name of [3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone?
The IUPAC name of [3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone (CID 126447935) is [3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone.
What is the SMILES notation for [3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone?
The canonical SMILES for [3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone is CCCO[C@H]1CCCN(C(=O)c2cccc(-c3ccc4nc[nH]c4c3)c2)C1.
What is the InChIKey of [3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone?
The InChIKey is QOVXQMDGYLQNMC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-11-27-19-7-4-10-25(14-19)22(26)18-6-3-5-16(12-18)17-8-9-20-21(13-17)24-15-23-20/h3,5-6,8-9,12-13,15,19H,2,4,7,10-11,14H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of [3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone?
[3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone is sourced from PubChem (CID 126447935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).