N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine

C22H28N4O — CID 70006976

IUPACN-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine
SMILESCOc1ccc2nc(-c3ccc(CNCCN4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C22H28N4O/c1-27-19-9-10-20-21(15-19)25-22(24-20)18-7-5-17(6-8-18)16-23-11-14-26-12-3-2-4-13-26/h5-10,15,23H,2-4,11-14,16H2,1H3,(H,24,25)
InChIKeyJAPIWBFVLRFJOS-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.81
Rot. Bonds7

About N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine

N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine (PubChem CID 70006976) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine
PubChem CID70006976
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine
SMILESCOc1ccc2nc(-c3ccc(CNCCN4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C22H28N4O/c1-27-19-9-10-20-21(15-19)25-22(24-20)18-7-5-17(6-8-18)16-23-11-14-26-12-3-2-4-13-26/h5-10,15,23H,2-4,11-14,16H2,1H3,(H,24,25)
InChIKeyJAPIWBFVLRFJOS-UHFFFAOYSA-N
XLogP3.81
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine;dihydrochloride
CID 70006975
6-methoxy-2-(4-methyl-3-piperidin-1-ylphenyl)-1H-benzimidazole
CID 103597286
N-[(4-methoxyphenyl)methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 44524536
N-[(4-aminophenyl)methyl]-2-(4-methoxyphenyl)-3H-benzimidazol-5-amine
CID 139827139
6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole
CID 3007943
7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one
CID 173144591
N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
CID 21260449
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine
CID 102876339
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 10269848
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 11538128

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine (CID 70006976) is N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine is COc1ccc2nc(-c3ccc(CNCCN4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine?
The InChIKey is JAPIWBFVLRFJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-27-19-9-10-20-21(15-19)25-22(24-20)18-7-5-17(6-8-18)16-23-11-14-26-12-3-2-4-13-26/h5-10,15,23H,2-4,11-14,16H2,1H3,(H,24,25).
What are the key properties of N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine?
N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine has a molecular weight of 364.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 70006976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).