N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine

C28H32N4 — CID 162735853

IUPACN,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine
SMILESCN(C)C1CCN(Cc2ccc(-c3ccc4nc(-c5ccccc5)n(C)c4c3)cc2)CC1
InChIInChI=1S/C28H32N4/c1-30(2)25-15-17-32(18-16-25)20-21-9-11-22(12-10-21)24-13-14-26-27(19-24)31(3)28(29-26)23-7-5-4-6-8-23/h4-14,19,25H,15-18,20H2,1-3H3
InChIKeyUYWULOFQRAHDAN-UHFFFAOYSA-N
MW424.59 g/mol
LogP5.43
Rot. Bonds5

About N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine

N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine (PubChem CID 162735853) has the molecular formula C28H32N4 and a molecular weight of 424.59 g/mol. Its IUPAC name is N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine
PubChem CID162735853
Molecular FormulaC28H32N4
Molecular Weight424.59 g/mol
Exact Mass424.26
IUPAC NameN,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine
SMILESCN(C)C1CCN(Cc2ccc(-c3ccc4nc(-c5ccccc5)n(C)c4c3)cc2)CC1
InChIInChI=1S/C28H32N4/c1-30(2)25-15-17-32(18-16-25)20-21-9-11-22(12-10-21)24-13-14-26-27(19-24)31(3)28(29-26)23-7-5-4-6-8-23/h4-14,19,25H,15-18,20H2,1-3H3
InChIKeyUYWULOFQRAHDAN-UHFFFAOYSA-N
XLogP5.43
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine 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

4-[6-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-1-methylbenzimidazol-2-yl]benzonitrile
CID 162735903
6-chloro-1-methyl-2-phenylbenzimidazole
CID 12738431
6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole
CID 158199390
N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
CID 11695061
N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
CID 58590945
[4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 74234693
2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine
CID 115485755
2-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)ethanol
CID 82164211
2-[4-[2-[3-chloro-5-[2-[4-(1-methylbenzimidazol-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1-methylbenzimidazole
CID 165148188
1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036
2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol
CID 94757522
N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine
CID 59568340

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine (CID 162735853) is N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine is CN(C)C1CCN(Cc2ccc(-c3ccc4nc(-c5ccccc5)n(C)c4c3)cc2)CC1.
What is the InChIKey of N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine?
The InChIKey is UYWULOFQRAHDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4/c1-30(2)25-15-17-32(18-16-25)20-21-9-11-22(12-10-21)24-13-14-26-27(19-24)31(3)28(29-26)23-7-5-4-6-8-23/h4-14,19,25H,15-18,20H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine?
N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine has a molecular weight of 424.59 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 162735853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).