1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine

C19H22ClN3O2 — CID 46309861

IUPAC1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc2ccc(Cl)cc2n1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22ClN3O2/c1-21-12-19-22-15-6-5-14(20)11-16(15)23(19)9-8-13-4-7-17(24-2)18(10-13)25-3/h4-7,10-11,21H,8-9,12H2,1-3H3
InChIKeyLCQXTXZXAHHSOL-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.67
Rot. Bonds7

About 1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine

1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine (PubChem CID 46309861) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine
PubChem CID46309861
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc2ccc(Cl)cc2n1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22ClN3O2/c1-21-12-19-22-15-6-5-14(20)11-16(15)23(19)9-8-13-4-7-17(24-2)18(10-13)25-3/h4-7,10-11,21H,8-9,12H2,1-3H3
InChIKeyLCQXTXZXAHHSOL-UHFFFAOYSA-N
XLogP3.67
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511
5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,4-dimethylphenoxy)methyl]benzimidazole
CID 46309847
2-tert-butyl-5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazole
CID 46309807
5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-propan-2-ylbenzimidazole
CID 46309795
1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol
CID 46309801
2-[2-[6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177158980
5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole
CID 46310881
3-[5-chloro-2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308855
2-[6-chloro-2-[[1-(2-methoxyphenyl)ethylamino]methyl]benzimidazol-1-yl]ethanol
CID 4827219
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 134084273
1-[2-(2-chlorophenoxy)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
CID 18878525
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylbenzimidazole-5-carboxylic acid
CID 46309772

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine (CID 46309861) is 1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine is CNCc1nc2ccc(Cl)cc2n1CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine?
The InChIKey is LCQXTXZXAHHSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-21-12-19-22-15-6-5-14(20)11-16(15)23(19)9-8-13-4-7-17(24-2)18(10-13)25-3/h4-7,10-11,21H,8-9,12H2,1-3H3.
What are the key properties of 1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine?
1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine has a molecular weight of 359.86 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 46309861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).