N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine

C23H31N5 — CID 145424418

IUPACN-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
SMILESCNCCCn1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2ccccc21
InChIInChI=1S/C23H31N5/c1-17-9-7-15-25-22(17)20-12-6-13-21(27(20)3)23-26-18-10-4-5-11-19(18)28(23)16-8-14-24-2/h4-5,7,9-11,15,20-21,24H,6,8,12-14,16H2,1-3H3/t20-,21+/m0/s1
InChIKeyFVVDYRJTLJVTEQ-LEWJYISDSA-N
MW377.54 g/mol
LogP4.25
Rot. Bonds6

About N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine

N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine (PubChem CID 145424418) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
PubChem CID145424418
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC NameN-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
SMILESCNCCCn1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2ccccc21
InChIInChI=1S/C23H31N5/c1-17-9-7-15-25-22(17)20-12-6-13-21(27(20)3)23-26-18-10-4-5-11-19(18)28(23)16-8-14-24-2/h4-5,7,9-11,15,20-21,24H,6,8,12-14,16H2,1-3H3/t20-,21+/m0/s1
InChIKeyFVVDYRJTLJVTEQ-LEWJYISDSA-N
XLogP4.25
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-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

N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
CID 145424316
N,N-dimethyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
CID 145424380
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole
CID 145424265
1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole
CID 154620192
N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 155373888
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine
CID 162531759
1-[(2S)-2-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 42108786
2,6-bis(3-methyl-2-pyridinyl)piperidin-1-amine
CID 67421572
N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide
CID 11303546
1-[2-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 46264735
1-[(2S)-2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92735916
1-[3-(3,4-dimethylphenoxy)propyl]-2-(oxolan-2-yl)benzimidazole
CID 17000070

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine (CID 145424418) is N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine is CNCCCn1c([C@H]2CCC[C@@H](c3ncccc3C)N2C)nc2ccccc21.
What is the InChIKey of N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine?
The InChIKey is FVVDYRJTLJVTEQ-LEWJYISDSA-N. The full InChI is InChI=1S/C23H31N5/c1-17-9-7-15-25-22(17)20-12-6-13-21(27(20)3)23-26-18-10-4-5-11-19(18)28(23)16-8-14-24-2/h4-5,7,9-11,15,20-21,24H,6,8,12-14,16H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine?
N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine has a molecular weight of 377.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 145424418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).