2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide

C26H30N6O3 — CID 175657170

IUPAC2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide
SMILESCCn1cnc2cc(NC(=O)CC3CCN(C(=O)c4ccc5c(c4)n(C)c(=O)n5C)CC3)ccc21
InChIInChI=1S/C26H30N6O3/c1-4-31-16-27-20-15-19(6-8-21(20)31)28-24(33)13-17-9-11-32(12-10-17)25(34)18-5-7-22-23(14-18)30(3)26(35)29(22)2/h5-8,14-17H,4,9-13H2,1-3H3,(H,28,33)
InChIKeyFKFVEUKYPTYBRP-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.13
Rot. Bonds5

About 2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide

2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide (PubChem CID 175657170) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide
PubChem CID175657170
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide
SMILESCCn1cnc2cc(NC(=O)CC3CCN(C(=O)c4ccc5c(c4)n(C)c(=O)n5C)CC3)ccc21
InChIInChI=1S/C26H30N6O3/c1-4-31-16-27-20-15-19(6-8-21(20)31)28-24(33)13-17-9-11-32(12-10-17)25(34)18-5-7-22-23(14-18)30(3)26(35)29(22)2/h5-8,14-17H,4,9-13H2,1-3H3,(H,28,33)
InChIKeyFKFVEUKYPTYBRP-UHFFFAOYSA-N
XLogP3.13
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-ethylbenzimidazol-5-yl)-2-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 124979019
2-(1-methylsulfonylpiperidin-4-yl)-N-(1-propylbenzimidazol-5-yl)acetamide
CID 92633758
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046
2-[(3S)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 124985657
3-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide
CID 98138865
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124943780
N,N-dimethyl-2-[1-(1-methylbenzimidazole-5-carbonyl)piperidin-4-yl]acetamide
CID 92633830
1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide
CID 72771099
(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124953688
2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide
CID 110150364
5-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-1,3-dimethylbenzimidazol-2-one
CID 110801795
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide (CID 175657170) is 2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide is CCn1cnc2cc(NC(=O)CC3CCN(C(=O)c4ccc5c(c4)n(C)c(=O)n5C)CC3)ccc21.
What is the InChIKey of 2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide?
The InChIKey is FKFVEUKYPTYBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-4-31-16-27-20-15-19(6-8-21(20)31)28-24(33)13-17-9-11-32(12-10-17)25(34)18-5-7-22-23(14-18)30(3)26(35)29(22)2/h5-8,14-17H,4,9-13H2,1-3H3,(H,28,33).
What are the key properties of 2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide?
2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide has a molecular weight of 474.57 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 175657170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).