[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone

C25H23N3O — CID 24599736

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
SMILESO=C(c1ccc2c3c(cccc13)CC2)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C25H23N3O/c29-25(20-13-12-17-11-10-16-5-3-7-19(20)23(16)17)28-14-4-6-18(15-28)24-26-21-8-1-2-9-22(21)27-24/h1-3,5,7-9,12-13,18H,4,6,10-11,14-15H2,(H,26,27)
InChIKeyCSPNYEGVBDQPHM-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.83
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone (PubChem CID 24599736) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
PubChem CID24599736
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
SMILESO=C(c1ccc2c3c(cccc13)CC2)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C25H23N3O/c29-25(20-13-12-17-11-10-16-5-3-7-19(20)23(16)17)28-14-4-6-18(15-28)24-26-21-8-1-2-9-22(21)27-24/h1-3,5,7-9,12-13,18H,4,6,10-11,14-15H2,(H,26,27)
InChIKeyCSPNYEGVBDQPHM-UHFFFAOYSA-N
XLogP4.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 46692235
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone
CID 95861103
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone
CID 55497026
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 24675834
3-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 51649138
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 40973368

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone (CID 24599736) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone is O=C(c1ccc2c3c(cccc13)CC2)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone?
The InChIKey is CSPNYEGVBDQPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c29-25(20-13-12-17-11-10-16-5-3-7-19(20)23(16)17)28-14-4-6-18(15-28)24-26-21-8-1-2-9-22(21)27-24/h1-3,5,7-9,12-13,18H,4,6,10-11,14-15H2,(H,26,27).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone has a molecular weight of 381.48 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone is sourced from PubChem (CID 24599736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).