1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one

C19H25N3O2 — CID 19256812

IUPAC1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one
SMILESCCCC(C(=O)n1c(C(C)=O)nc2ccccc21)N1CCCCC1
InChIInChI=1S/C19H25N3O2/c1-3-9-17(21-12-7-4-8-13-21)19(24)22-16-11-6-5-10-15(16)20-18(22)14(2)23/h5-6,10-11,17H,3-4,7-9,12-13H2,1-2H3
InChIKeyBORKGJJSISQPHN-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.53
Rot. Bonds5

About 1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one

1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one (PubChem CID 19256812) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one
PubChem CID19256812
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one
SMILESCCCC(C(=O)n1c(C(C)=O)nc2ccccc21)N1CCCCC1
InChIInChI=1S/C19H25N3O2/c1-3-9-17(21-12-7-4-8-13-21)19(24)22-16-11-6-5-10-15(16)20-18(22)14(2)23/h5-6,10-11,17H,3-4,7-9,12-13H2,1-2H3
InChIKeyBORKGJJSISQPHN-UHFFFAOYSA-N
XLogP3.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one
CID 19256735
1-(2-acetylbenzimidazol-1-yl)-2-chloroethanone
CID 19256617
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
4-[2-(2-acetylbenzimidazol-1-yl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 19256731
ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate
CID 10970442
methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
CID 117065161
1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone
CID 19256724
(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone
CID 110469012
3-(benzotriazol-1-yl)hexan-2-one
CID 154962693
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one
CID 71721462
1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone
CID 19256635

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one?
The IUPAC name of 1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one (CID 19256812) is 1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one?
The canonical SMILES for 1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one is CCCC(C(=O)n1c(C(C)=O)nc2ccccc21)N1CCCCC1.
What is the InChIKey of 1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one?
The InChIKey is BORKGJJSISQPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-9-17(21-12-7-4-8-13-21)19(24)22-16-11-6-5-10-15(16)20-18(22)14(2)23/h5-6,10-11,17H,3-4,7-9,12-13H2,1-2H3.
What are the key properties of 1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one?
1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one has a molecular weight of 327.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylbenzimidazol-1-yl)-2-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 19256812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).