methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate

C19H14N2O3 — CID 136663206

IUPACmethyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3c(O)ccc4ccccc34)[nH]c2c1
InChIInChI=1S/C19H14N2O3/c1-24-19(23)12-6-8-14-15(10-12)21-18(20-14)17-13-5-3-2-4-11(13)7-9-16(17)22/h2-10,22H,1H3,(H,20,21)
InChIKeyLQMKOKMCDQWHSA-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.88
Rot. Bonds2

About methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate

methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate (PubChem CID 136663206) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
PubChem CID136663206
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Namemethyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3c(O)ccc4ccccc34)[nH]c2c1
InChIInChI=1S/C19H14N2O3/c1-24-19(23)12-6-8-14-15(10-12)21-18(20-14)17-13-5-3-2-4-11(13)7-9-16(17)22/h2-10,22H,1H3,(H,20,21)
InChIKeyLQMKOKMCDQWHSA-UHFFFAOYSA-N
XLogP3.88
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3,4-dihydroxyphenyl)-3H-benzimidazole-5-carboxylate
CID 136663209
methyl 2-anthracen-1-yl-3H-benzimidazole-5-carboxylate
CID 175322054
methyl 2-(5-bromonaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
CID 91673779
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
methyl 2-(4-aminophenyl)-3H-benzimidazole-5-carboxylate
CID 4915421
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate
CID 46995977
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
methyl 2-(3-phenoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902843
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
methyl 2-(4-propoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902829
methyl 2-(3-ethoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902839

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate (CID 136663206) is methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate is COC(=O)c1ccc2nc(-c3c(O)ccc4ccccc34)[nH]c2c1.
What is the InChIKey of methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate?
The InChIKey is LQMKOKMCDQWHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-24-19(23)12-6-8-14-15(10-12)21-18(20-14)17-13-5-3-2-4-11(13)7-9-16(17)22/h2-10,22H,1H3,(H,20,21).
What are the key properties of methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate?
methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxynaphthalen-1-yl)-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 136663206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).