2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine

C20H25N3O2 — CID 66527326

IUPAC2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNCCc2nc3ccccc3[nH]2)ccc1OC(C)C
InChIInChI=1S/C20H25N3O2/c1-14(2)25-18-9-8-15(12-19(18)24-3)13-21-11-10-20-22-16-6-4-5-7-17(16)23-20/h4-9,12,14,21H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyWNQMRXGICCGCQJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.69
Rot. Bonds8

About 2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine

2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 66527326) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID66527326
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNCCc2nc3ccccc3[nH]2)ccc1OC(C)C
InChIInChI=1S/C20H25N3O2/c1-14(2)25-18-9-8-15(12-19(18)24-3)13-21-11-10-20-22-16-6-4-5-7-17(16)23-20/h4-9,12,14,21H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyWNQMRXGICCGCQJ-UHFFFAOYSA-N
XLogP3.69
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.69
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

2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 66526954
2-(1H-benzimidazol-2-yl)-N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 66526848
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 39422750
2-(1H-benzimidazol-2-yl)-N-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine
CID 66527310
3-(1H-benzimidazol-2-yl)-N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 66528636
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
3-(1H-benzimidazol-2-yl)-N-[(5-bromo-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 66529073
3-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 66528622
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
3-(1H-benzimidazol-2-yl)-N-[(3,5-dichloro-4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 66529083
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 66526945

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine (CID 66527326) is 2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine is COc1cc(CNCCc2nc3ccccc3[nH]2)ccc1OC(C)C.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is WNQMRXGICCGCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)25-18-9-8-15(12-19(18)24-3)13-21-11-10-20-22-16-6-4-5-7-17(16)23-20/h4-9,12,14,21H,10-11,13H2,1-3H3,(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine?
2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 339.44 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 66527326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).