[3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C26H26N4O — CID 155967933

IUPAC[3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESNCc1ccc(-c2cccc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)c2)cc1
InChIInChI=1S/C26H26N4O/c27-16-18-10-12-19(13-11-18)20-5-3-6-21(15-20)26(31)30-14-4-7-22(17-30)25-28-23-8-1-2-9-24(23)29-25/h1-3,5-6,8-13,15,22H,4,7,14,16-17,27H2,(H,28,29)
InChIKeyWFUUNRJIXZKQFS-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.71
Rot. Bonds4

About [3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone

[3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 155967933) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is [3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID155967933
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name[3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESNCc1ccc(-c2cccc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)c2)cc1
InChIInChI=1S/C26H26N4O/c27-16-18-10-12-19(13-11-18)20-5-3-6-21(15-20)26(31)30-14-4-7-22(17-30)25-28-23-8-1-2-9-24(23)29-25/h1-3,5-6,8-13,15,22H,4,7,14,16-17,27H2,(H,28,29)
InChIKeyWFUUNRJIXZKQFS-UHFFFAOYSA-N
XLogP4.71
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-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

[(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
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-nitrophenyl)methanone
CID 42932421
2-[[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione
CID 55497895
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one
CID 70782693
5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one
CID 56908564
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 42932459
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800

Frequently Asked Questions

What is the IUPAC name of [3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 155967933) is [3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone is NCc1ccc(-c2cccc(C(=O)N3CCCC(c4nc5ccccc5[nH]4)C3)c2)cc1.
What is the InChIKey of [3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is WFUUNRJIXZKQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c27-16-18-10-12-19(13-11-18)20-5-3-6-21(15-20)26(31)30-14-4-7-22(17-30)25-28-23-8-1-2-9-24(23)29-25/h1-3,5-6,8-13,15,22H,4,7,14,16-17,27H2,(H,28,29).
What are the key properties of [3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
[3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 410.52 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155967933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).