2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide

C23H26N4O4 — CID 99212282

IUPAC2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)ccc1OCC(N)=O
InChIInChI=1S/C23H26N4O4/c1-26-17-8-4-3-7-16(17)25-22(26)18-9-5-6-12-27(18)23(29)15-10-11-19(20(13-15)30-2)31-14-21(24)28/h3-4,7-8,10-11,13,18H,5-6,9,12,14H2,1-2H3,(H2,24,28)/t18-/m0/s1
InChIKeyLZFNDGJCEJITHC-SFHVURJKSA-N
MW422.49 g/mol
LogP2.81
Rot. Bonds6

About 2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide

2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide (PubChem CID 99212282) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
PubChem CID99212282
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)ccc1OCC(N)=O
InChIInChI=1S/C23H26N4O4/c1-26-17-8-4-3-7-16(17)25-22(26)18-9-5-6-12-27(18)23(29)15-10-11-19(20(13-15)30-2)31-14-21(24)28/h3-4,7-8,10-11,13,18H,5-6,9,12,14H2,1-2H3,(H2,24,28)/t18-/m0/s1
InChIKeyLZFNDGJCEJITHC-SFHVURJKSA-N
XLogP2.81
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 127265055
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 52536369
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 94640308
furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91822619
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 125123416
2-[4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-methoxyphenoxy]acetamide
CID 94809319
2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
CID 71889428
N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide
CID 55764627
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92901885

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide (CID 99212282) is 2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide is COc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is LZFNDGJCEJITHC-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-26-17-8-4-3-7-16(17)25-22(26)18-9-5-6-12-27(18)23(29)15-10-11-19(20(13-15)30-2)31-14-21(24)28/h3-4,7-8,10-11,13,18H,5-6,9,12,14H2,1-2H3,(H2,24,28)/t18-/m0/s1.
What are the key properties of 2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 422.49 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 99212282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).