N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide

C25H32N6O3 — CID 45225986

IUPACN-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCCCC2c2nccn2C)c2c(c1)nc(C1CCC1)n2C
InChIInChI=1S/C25H32N6O3/c1-29-12-10-26-24(29)20-9-4-5-11-31(20)25(33)18-13-17(27-21(32)15-34-3)14-19-22(18)30(2)23(28-19)16-7-6-8-16/h10,12-14,16,20H,4-9,11,15H2,1-3H3,(H,27,32)
InChIKeyPQLQJRSBHCXCJR-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.53
Rot. Bonds6

About N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide

N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide (PubChem CID 45225986) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
PubChem CID45225986
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC NameN-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCCCC2c2nccn2C)c2c(c1)nc(C1CCC1)n2C
InChIInChI=1S/C25H32N6O3/c1-29-12-10-26-24(29)20-9-4-5-11-31(20)25(33)18-13-17(27-21(32)15-34-3)14-19-22(18)30(2)23(28-19)16-7-6-8-16/h10,12-14,16,20H,4-9,11,15H2,1-3H3,(H,27,32)
InChIKeyPQLQJRSBHCXCJR-UHFFFAOYSA-N
XLogP3.53
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
CID 42429744
2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide
CID 42170060
N-[2-benzyl-1-methyl-7-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-5-yl]propanamide
CID 125167750
2-cyclobutyl-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
CID 42276148
2-cyclobutyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-[(2-methoxyacetyl)amino]-N,3-dimethylbenzimidazole-4-carboxamide
CID 45198971
2-cyclobutyl-N-[(2R)-1-indol-1-ylpropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-methylbenzimidazole-4-carboxamide
CID 26277075
N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide
CID 45175507
N-[1-(2-methoxyethyl)-7-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 42432337
N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 42485139
N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 42432476
[(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 125170050
ethyl 2-[1-[2-benzyl-3-methyl-6-(propanoylamino)benzimidazole-4-carbonyl]piperidin-2-yl]acetate
CID 45235075

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide (CID 45225986) is N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide is COCC(=O)Nc1cc(C(=O)N2CCCCC2c2nccn2C)c2c(c1)nc(C1CCC1)n2C.
What is the InChIKey of N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide?
The InChIKey is PQLQJRSBHCXCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-29-12-10-26-24(29)20-9-4-5-11-31(20)25(33)18-13-17(27-21(32)15-34-3)14-19-22(18)30(2)23(28-19)16-7-6-8-16/h10,12-14,16,20H,4-9,11,15H2,1-3H3,(H,27,32).
What are the key properties of N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide?
N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide has a molecular weight of 464.57 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide is sourced from PubChem (CID 45225986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).