N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide

C26H32N6O4 — CID 42429744

IUPACN-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)c2c(c1)nc(C1CCC1)n2C
InChIInChI=1S/C26H32N6O4/c1-30-11-9-27-25(30)23(34)17-8-5-10-32(14-17)26(35)19-12-18(28-21(33)15-36-3)13-20-22(19)31(2)24(29-20)16-6-4-7-16/h9,11-13,16-17H,4-8,10,14-15H2,1-3H3,(H,28,33)/t17-/m1/s1
InChIKeyIQZMSNCVPPUAKH-QGZVFWFLSA-N
MW492.58 g/mol
LogP2.89
Rot. Bonds7

About N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide

N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide (PubChem CID 42429744) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
PubChem CID42429744
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC NameN-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)c2c(c1)nc(C1CCC1)n2C
InChIInChI=1S/C26H32N6O4/c1-30-11-9-27-25(30)23(34)17-8-5-10-32(14-17)26(35)19-12-18(28-21(33)15-36-3)13-20-22(19)31(2)24(29-20)16-6-4-7-16/h9,11-13,16-17H,4-8,10,14-15H2,1-3H3,(H,28,33)/t17-/m1/s1
InChIKeyIQZMSNCVPPUAKH-QGZVFWFLSA-N
XLogP2.89
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-cyclobutyl-1-methyl-7-[2-(1-methylimidazol-2-yl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
CID 45225986
(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95125513
2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide
CID 42170060
[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70742832
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
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 119061153
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70772543
1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 45189605
N-[1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 45206511

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide (CID 42429744) is N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide is COCC(=O)Nc1cc(C(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)c2c(c1)nc(C1CCC1)n2C.
What is the InChIKey of N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide?
The InChIKey is IQZMSNCVPPUAKH-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-30-11-9-27-25(30)23(34)17-8-5-10-32(14-17)26(35)19-12-18(28-21(33)15-36-3)13-20-22(19)31(2)24(29-20)16-6-4-7-16/h9,11-13,16-17H,4-8,10,14-15H2,1-3H3,(H,28,33)/t17-/m1/s1.
What are the key properties of N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide?
N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide has a molecular weight of 492.58 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-1-methyl-7-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide is sourced from PubChem (CID 42429744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).