1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine

C22H28N4 — CID 45197583

IUPAC1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H28N4/c1-25(15-13-18-8-3-2-4-9-18)19-10-7-14-26(16-19)17-22-23-20-11-5-6-12-21(20)24-22/h2-6,8-9,11-12,19H,7,10,13-17H2,1H3,(H,23,24)
InChIKeySJKRNMBNNNMMAG-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.70
Rot. Bonds6

About 1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine

1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine (PubChem CID 45197583) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine
PubChem CID45197583
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H28N4/c1-25(15-13-18-8-3-2-4-9-18)19-10-7-14-26(16-19)17-22-23-20-11-5-6-12-21(20)24-22/h2-6,8-9,11-12,19H,7,10,13-17H2,1H3,(H,23,24)
InChIKeySJKRNMBNNNMMAG-UHFFFAOYSA-N
XLogP3.70
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 45247036
N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45251588
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 30673499
2-(1H-benzimidazol-2-yl)-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one
CID 175919796
N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine
CID 45189224
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45228567
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol
CID 45215252
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine?
The IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine (CID 45197583) is 1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine?
The canonical SMILES for 1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine is CN(CCc1ccccc1)C1CCCN(Cc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine?
The InChIKey is SJKRNMBNNNMMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-25(15-13-18-8-3-2-4-9-18)19-10-7-14-26(16-19)17-22-23-20-11-5-6-12-21(20)24-22/h2-6,8-9,11-12,19H,7,10,13-17H2,1H3,(H,23,24).
What are the key properties of 1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine?
1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine has a molecular weight of 348.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylmethyl)-N-methyl-N-(2-phenylethyl)piperidin-3-amine is sourced from PubChem (CID 45197583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).