methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate

C19H15N3O3 — CID 169450802

IUPACmethyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(Oc3cccc4ccccc34)cc2[nH]1
InChIInChI=1S/C19H15N3O3/c1-24-19(23)22-18-20-15-10-9-13(11-16(15)21-18)25-17-8-4-6-12-5-2-3-7-14(12)17/h2-11H,1H3,(H2,20,21,22,23)
InChIKeyLAYJCHAJQHFMOR-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.69
Rot. Bonds3

About methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate

methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate (PubChem CID 169450802) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate
PubChem CID169450802
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Namemethyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(Oc3cccc4ccccc34)cc2[nH]1
InChIInChI=1S/C19H15N3O3/c1-24-19(23)22-18-20-15-10-9-13(11-16(15)21-18)25-17-8-4-6-12-5-2-3-7-14(12)17/h2-11H,1H3,(H2,20,21,22,23)
InChIKeyLAYJCHAJQHFMOR-UHFFFAOYSA-N
XLogP4.69
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 2-methoxybenzenesulfonate
CID 88844156
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate
CID 2294384
1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774094
methyl N-[6-(4-methoxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 11221181
methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
CID 23190345
2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
CID 138679261
[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 2,4,6-trifluorobenzenesulfonate
CID 22147004
methyl N-[6-[2-[(3-methoxyphenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 91428587
1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
CID 118709938
1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774089
methyl N-[6-(2-methylphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 70629928

Frequently Asked Questions

What is the IUPAC name of methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate (CID 169450802) is methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate is COC(=O)Nc1nc2ccc(Oc3cccc4ccccc34)cc2[nH]1.
What is the InChIKey of methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate?
The InChIKey is LAYJCHAJQHFMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-24-19(23)22-18-20-15-10-9-13(11-16(15)21-18)25-17-8-4-6-12-5-2-3-7-14(12)17/h2-11H,1H3,(H2,20,21,22,23).
What are the key properties of methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate?
methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate has a molecular weight of 333.35 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 169450802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).