2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide

C26H34N4O2 — CID 53207599

IUPAC2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C(C)C
InChIInChI=1S/C26H34N4O2/c1-18(2)30-23-10-9-21(27-26(31)17-32-24-8-6-5-7-20(24)4)15-22(23)28-25(30)16-29-13-11-19(3)12-14-29/h5-10,15,18-19H,11-14,16-17H2,1-4H3,(H,27,31)
InChIKeyGDWSRYLKBAKDLT-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.18
Rot. Bonds7

About 2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide

2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide (PubChem CID 53207599) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide
PubChem CID53207599
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C(C)C
InChIInChI=1S/C26H34N4O2/c1-18(2)30-23-10-9-21(27-26(31)17-32-24-8-6-5-7-20(24)4)15-22(23)28-25(30)16-29-13-11-19(3)12-14-29/h5-10,15,18-19H,11-14,16-17H2,1-4H3,(H,27,31)
InChIKeyGDWSRYLKBAKDLT-UHFFFAOYSA-N
XLogP5.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53207578
N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53003175
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide
CID 53207549
N-[1-butyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-5-yl]-2-phenoxyacetamide
CID 53207634
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
2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 23611162
2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide
CID 50751924
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
4-fluoro-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 50745138
4-fluoro-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]benzamide
CID 53207572

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide (CID 53207599) is 2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide is Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C(C)C.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide?
The InChIKey is GDWSRYLKBAKDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-18(2)30-23-10-9-21(27-26(31)17-32-24-8-6-5-7-20(24)4)15-22(23)28-25(30)16-29-13-11-19(3)12-14-29/h5-10,15,18-19H,11-14,16-17H2,1-4H3,(H,27,31).
What are the key properties of 2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide?
2-(2-methylphenoxy)-N-[2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide has a molecular weight of 434.58 g/mol, XLogP of 5.18, 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-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]acetamide is sourced from PubChem (CID 53207599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).