2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine

C18H21N3O2 — CID 66526954

IUPAC2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C18H21N3O2/c1-22-16-8-7-13(11-17(16)23-2)12-19-10-9-18-20-14-5-3-4-6-15(14)21-18/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyUGTLVAVRSASCNI-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.91
Rot. Bonds7

About 2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine

2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine (PubChem CID 66526954) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
PubChem CID66526954
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C18H21N3O2/c1-22-16-8-7-13(11-17(16)23-2)12-19-10-9-18-20-14-5-3-4-6-15(14)21-18/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyUGTLVAVRSASCNI-UHFFFAOYSA-N
XLogP2.91
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.91
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-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 66527326
2-(1H-benzimidazol-2-yl)-N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 66526848
3-(1H-benzimidazol-2-yl)-N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 66528636
3-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 66528622
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 30358126
2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 66526945
3-(1H-benzimidazol-2-yl)-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]propan-1-amine
CID 66528565
2-(1H-benzimidazol-2-yl)-N-[(3-bromophenyl)methyl]ethanamine
CID 66526967
2-(1H-benzimidazol-2-yl)-N-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 66527265
2-(1H-benzimidazol-2-yl)-N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 66527386
2-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
CID 66526965
4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline
CID 124824368

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine (CID 66526954) is 2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine is COc1ccc(CNCCc2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is UGTLVAVRSASCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-22-16-8-7-13(11-17(16)23-2)12-19-10-9-18-20-14-5-3-4-6-15(14)21-18/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine?
2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 311.39 g/mol, XLogP of 2.91, 7 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-[(3,4-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 66526954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).