[2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate

C22H24N4O4 — CID 67073190

IUPAC[2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCC(=O)N1CCCC(COc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2)C1
InChIInChI=1S/C22H24N4O4/c1-14(27)26-10-2-3-15(12-26)13-29-17-6-4-16(5-7-17)21-24-19-9-8-18(30-22(23)28)11-20(19)25-21/h4-9,11,15H,2-3,10,12-13H2,1H3,(H2,23,28)(H,24,25)
InChIKeyCZDAHPXFGIKCOT-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.32
Rot. Bonds5

About [2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate

[2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate (PubChem CID 67073190) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is [2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
PubChem CID67073190
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name[2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCC(=O)N1CCCC(COc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2)C1
InChIInChI=1S/C22H24N4O4/c1-14(27)26-10-2-3-15(12-26)13-29-17-6-4-16(5-7-17)21-24-19-9-8-18(30-22(23)28)11-20(19)25-21/h4-9,11,15H,2-3,10,12-13H2,1H3,(H2,23,28)(H,24,25)
InChIKeyCZDAHPXFGIKCOT-UHFFFAOYSA-N
XLogP3.32
TPSA110.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate?
The IUPAC name of [2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate (CID 67073190) is [2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate.
What is the SMILES notation for [2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate?
The canonical SMILES for [2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate is CC(=O)N1CCCC(COc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2)C1.
What is the InChIKey of [2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate?
The InChIKey is CZDAHPXFGIKCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14(27)26-10-2-3-15(12-26)13-29-17-6-4-16(5-7-17)21-24-19-9-8-18(30-22(23)28)11-20(19)25-21/h4-9,11,15H,2-3,10,12-13H2,1H3,(H2,23,28)(H,24,25).
What are the key properties of [2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate?
[2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate has a molecular weight of 408.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(1-acetylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazol-5-yl] carbamate is sourced from PubChem (CID 67073190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).