2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide

C25H32N4O2 — CID 53207578

IUPAC2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C(C)C
InChIInChI=1S/C25H32N4O2/c1-18(2)29-22-12-11-20(26-25(30)17-31-23-10-6-5-9-19(23)3)15-21(22)27-24(29)16-28-13-7-4-8-14-28/h5-6,9-12,15,18H,4,7-8,13-14,16-17H2,1-3H3,(H,26,30)
InChIKeyFGRRJGCFOGFXQE-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.93
Rot. Bonds7

About 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide

2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide (PubChem CID 53207578) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide
PubChem CID53207578
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C(C)C
InChIInChI=1S/C25H32N4O2/c1-18(2)29-22-12-11-20(26-25(30)17-31-23-10-6-5-9-19(23)3)15-21(22)27-24(29)16-28-13-7-4-8-14-28/h5-6,9-12,15,18H,4,7-8,13-14,16-17H2,1-3H3,(H,26,30)
InChIKeyFGRRJGCFOGFXQE-UHFFFAOYSA-N
XLogP4.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53207599
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide
CID 53207549
3-methyl-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 50745125
N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 53207693
4-fluoro-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]benzamide
CID 53207572
N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide
CID 50745132
4-fluoro-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 50745138
2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 23611162
2-chloro-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]benzamide
CID 17236094
2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 17236140
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide
CID 50751924

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide (CID 53207578) is 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide is Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C(C)C.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide?
The InChIKey is FGRRJGCFOGFXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18(2)29-22-12-11-20(26-25(30)17-31-23-10-6-5-9-19(23)3)15-21(22)27-24(29)16-28-13-7-4-8-14-28/h5-6,9-12,15,18H,4,7-8,13-14,16-17H2,1-3H3,(H,26,30).
What are the key properties of 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide?
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide is sourced from PubChem (CID 53207578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).