3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol

C20H23N3O3 — CID 70497910

IUPAC3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1ccc(OC)c2c1CC(O)C(NCc1nc3ccccc3[nH]1)C2
InChIInChI=1S/C20H23N3O3/c1-25-18-7-8-19(26-2)13-10-17(24)16(9-12(13)18)21-11-20-22-14-5-3-4-6-15(14)23-20/h3-8,16-17,21,24H,9-11H2,1-2H3,(H,22,23)
InChIKeyPLGQIOKPNMEHNN-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.20
Rot. Bonds5

About 3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol

3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 70497910) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID70497910
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1ccc(OC)c2c1CC(O)C(NCc1nc3ccccc3[nH]1)C2
InChIInChI=1S/C20H23N3O3/c1-25-18-7-8-19(26-2)13-10-17(24)16(9-12(13)18)21-11-20-22-14-5-3-4-6-15(14)23-20/h3-8,16-17,21,24H,9-11H2,1-2H3,(H,22,23)
InChIKeyPLGQIOKPNMEHNN-UHFFFAOYSA-N
XLogP2.20
TPSA79.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 70483365
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(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
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N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
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CID 43655401
N-(1H-benzimidazol-2-ylmethyl)-3-methylcyclohexan-1-amine
CID 78911302
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
CID 146022195
2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
CID 139695649
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 51143916
N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813649

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol (CID 70497910) is 3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol is COc1ccc(OC)c2c1CC(O)C(NCc1nc3ccccc3[nH]1)C2.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is PLGQIOKPNMEHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-25-18-7-8-19(26-2)13-10-17(24)16(9-12(13)18)21-11-20-22-14-5-3-4-6-15(14)23-20/h3-8,16-17,21,24H,9-11H2,1-2H3,(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 353.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 70497910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).