N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide

C25H31ClN4O2 — CID 50745132

IUPACN-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide
SMILESCCCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21
InChIInChI=1S/C25H31ClN4O2/c1-2-3-15-30-22-12-11-19(27-25(31)18-32-23-10-6-5-9-20(23)26)16-21(22)28-24(30)17-29-13-7-4-8-14-29/h5-6,9-12,16H,2-4,7-8,13-15,17-18H2,1H3,(H,27,31)
InChIKeyXEDQXXKLEPKBHJ-UHFFFAOYSA-N
MW455.00 g/mol
LogP5.49
Rot. Bonds9

About N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide

N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide (PubChem CID 50745132) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide
PubChem CID50745132
Molecular FormulaC25H31ClN4O2
Molecular Weight455.00 g/mol
Exact Mass454.21
IUPAC NameN-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide
SMILESCCCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21
InChIInChI=1S/C25H31ClN4O2/c1-2-3-15-30-22-12-11-19(27-25(31)18-32-23-10-6-5-9-20(23)26)16-21(22)28-24(30)17-29-13-7-4-8-14-29/h5-6,9-12,16H,2-4,7-8,13-15,17-18H2,1H3,(H,27,31)
InChIKeyXEDQXXKLEPKBHJ-UHFFFAOYSA-N
XLogP5.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.00
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]acetamide
CID 53207549
2-(2-chlorophenoxy)-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 17236140
N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 53207619
N-[1-butyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 53207694
2-(2-chlorophenoxy)-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]acetamide
CID 23611162
N-[1-butyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-5-yl]-2-phenoxyacetamide
CID 53207634
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53207578
2-(4-methoxyphenoxy)-N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]acetamide
CID 17236113
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
CID 23611201
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
N-[2-(azepan-1-ylmethyl)-1-propylbenzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 46263978

Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide (CID 50745132) is N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide is CCCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21.
What is the InChIKey of N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is XEDQXXKLEPKBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c1-2-3-15-30-22-12-11-19(27-25(31)18-32-23-10-6-5-9-20(23)26)16-21(22)28-24(30)17-29-13-7-4-8-14-29/h5-6,9-12,16H,2-4,7-8,13-15,17-18H2,1H3,(H,27,31).
What are the key properties of N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide?
N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 455.00 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 50745132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).