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

C24H33N5 — CID 145424316

IUPACN,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
SMILESCc1cccnc1C1CCCC(c2nc3ccccc3n2CCCN(C)C)N1C
InChIInChI=1S/C24H33N5/c1-18-10-8-15-25-23(18)21-13-7-14-22(28(21)4)24-26-19-11-5-6-12-20(19)29(24)17-9-16-27(2)3/h5-6,8,10-12,15,21-22H,7,9,13-14,16-17H2,1-4H3
InChIKeyIGAOMHWVNBHHLL-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.59
Rot. Bonds6

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

N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine (PubChem CID 145424316) has the molecular formula C24H33N5 and a molecular weight of 391.56 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
PubChem CID145424316
Molecular FormulaC24H33N5
Molecular Weight391.56 g/mol
Exact Mass391.27
IUPAC NameN,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
SMILESCc1cccnc1C1CCCC(c2nc3ccccc3n2CCCN(C)C)N1C
InChIInChI=1S/C24H33N5/c1-18-10-8-15-25-23(18)21-13-7-14-22(28(21)4)24-26-19-11-5-6-12-20(19)29(24)17-9-16-27(2)3/h5-6,8,10-12,15,21-22H,7,9,13-14,16-17H2,1-4H3
InChIKeyIGAOMHWVNBHHLL-UHFFFAOYSA-N
XLogP4.59
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
CID 145424418
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole
CID 145424265
N,N-dimethyl-3-[2-[(2S,6R)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 145424572
1-(cyclohexylmethyl)-2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole
CID 154620192
3-[2-(2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]quinolin-1-ylmethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 68941967
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine
CID 162531759
1-[2-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 46264735
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
1-[(2S)-2-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 42108786
3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine
CID 145424448
N-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 71106334

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine (CID 145424316) is N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine is Cc1cccnc1C1CCCC(c2nc3ccccc3n2CCCN(C)C)N1C.
What is the InChIKey of N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine?
The InChIKey is IGAOMHWVNBHHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5/c1-18-10-8-15-25-23(18)21-13-7-14-22(28(21)4)24-26-19-11-5-6-12-20(19)29(24)17-9-16-27(2)3/h5-6,8,10-12,15,21-22H,7,9,13-14,16-17H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine has a molecular weight of 391.56 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 145424316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).