[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone

C20H22N4O — CID 119488829

IUPAC[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C1
InChIInChI=1S/C20H22N4O/c1-21-16-5-4-12-23(13-16)20(25)15-8-10-17(11-9-15)24-14-22-18-6-2-3-7-19(18)24/h2-3,6-11,14,16,21H,4-5,12-13H2,1H3
InChIKeyTVOQBDHJZSSTCP-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.85
Rot. Bonds3

About [4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone

[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119488829) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119488829
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C1
InChIInChI=1S/C20H22N4O/c1-21-16-5-4-12-23(13-16)20(25)15-8-10-17(11-9-15)24-14-22-18-6-2-3-7-19(18)24/h2-3,6-11,14,16,21H,4-5,12-13H2,1H3
InChIKeyTVOQBDHJZSSTCP-UHFFFAOYSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)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

[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(benzimidazol-1-yl)phenyl]methanone
CID 40716447
3-[4-[3-(methylamino)pyrrolidine-1-carbonyl]phenyl]quinazolin-4-one
CID 86779872
[4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649370
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide
CID 77451963
[4-(benzimidazol-1-yl)phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 41038540
4-(benzimidazol-1-yl)-N-cyclopentylbenzamide
CID 22110686
[4-(benzimidazol-1-yl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 22109870
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
[4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
CID 71850061
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 92786824

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone (CID 119488829) is [4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C1.
What is the InChIKey of [4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is TVOQBDHJZSSTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-21-16-5-4-12-23(13-16)20(25)15-8-10-17(11-9-15)24-14-22-18-6-2-3-7-19(18)24/h2-3,6-11,14,16,21H,4-5,12-13H2,1H3.
What are the key properties of [4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone?
[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119488829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).