N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline

C22H28N4 — CID 12051576

IUPACN-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
SMILESCc1ccc2nc(-c3ccc(N(C)CCN4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C22H28N4/c1-17-6-11-20-21(16-17)24-22(23-20)18-7-9-19(10-8-18)25(2)14-15-26-12-4-3-5-13-26/h6-11,16H,3-5,12-15H2,1-2H3,(H,23,24)
InChIKeyLHIKMVYJPPSOTC-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.46
Rot. Bonds5

About N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline

N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline (PubChem CID 12051576) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
PubChem CID12051576
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC NameN-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
SMILESCc1ccc2nc(-c3ccc(N(C)CCN4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C22H28N4/c1-17-6-11-20-21(16-17)24-22(23-20)18-7-9-19(10-8-18)25(2)14-15-26-12-4-3-5-13-26/h6-11,16H,3-5,12-15H2,1-2H3,(H,23,24)
InChIKeyLHIKMVYJPPSOTC-UHFFFAOYSA-N
XLogP4.46
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline 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

N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
CID 21260449
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 18621401
6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 168514664
6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole
CID 158164125
2-[4-(6-bromo-1H-benzimidazol-2-yl)-N-methylanilino]ethyl 4-methylbenzenesulfonate
CID 139235315
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
N-benzyl-N-ethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 110536430
4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
CID 136504253
N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine
CID 70006976
2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol
CID 139235304
N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine;dihydrochloride
CID 70006975

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline?
The IUPAC name of N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline (CID 12051576) is N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline.
What is the SMILES notation for N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline?
The canonical SMILES for N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline is Cc1ccc2nc(-c3ccc(N(C)CCN4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline?
The InChIKey is LHIKMVYJPPSOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-17-6-11-20-21(16-17)24-22(23-20)18-7-9-19(10-8-18)25(2)14-15-26-12-4-3-5-13-26/h6-11,16H,3-5,12-15H2,1-2H3,(H,23,24).
What are the key properties of N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline?
N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline has a molecular weight of 348.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline is sourced from PubChem (CID 12051576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).