(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine

C17H19N3O2 — CID 121471175

IUPAC(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C[C@@H](N)c2nc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C17H19N3O2/c1-21-12-5-3-11(4-6-12)9-14(18)17-19-15-8-7-13(22-2)10-16(15)20-17/h3-8,10,14H,9,18H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyCWHKDNBLJMHFRV-CQSZACIVSA-N
MW297.36 g/mol
LogP2.82
Rot. Bonds5

About (1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine

(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 121471175) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
PubChem CID121471175
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C[C@@H](N)c2nc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C17H19N3O2/c1-21-12-5-3-11(4-6-12)9-14(18)17-19-15-8-7-13(22-2)10-16(15)20-17/h3-8,10,14H,9,18H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyCWHKDNBLJMHFRV-CQSZACIVSA-N
XLogP2.82
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
(1R)-2-(4-methoxyphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 117074664
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylpropanethioic S-acid
CID 18184920
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
tert-butyl N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]carbamate
CID 131748686
3-[[2-[(1R)-1-amino-2-(4-phenylmethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]oxy]-N,N-diethylpropan-1-amine
CID 10140213
3-[[2-[1-amino-2-(4-phenylmethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]oxy]-N,N-diethylpropan-1-amine
CID 23546167
1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331898

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine (CID 121471175) is (1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(C[C@@H](N)c2nc3ccc(OC)cc3[nH]2)cc1.
What is the InChIKey of (1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is CWHKDNBLJMHFRV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-21-12-5-3-11(4-6-12)9-14(18)17-19-15-8-7-13(22-2)10-16(15)20-17/h3-8,10,14H,9,18H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine?
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 297.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 121471175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).