methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate

C19H13Cl2N3O3 — CID 2294384

IUPACmethyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2cc(Oc3ccc4ccccc4c3Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C19H13Cl2N3O3/c1-26-19(25)24-18-22-13-8-12(20)16(9-14(13)23-18)27-15-7-6-10-4-2-3-5-11(10)17(15)21/h2-9H,1H3,(H2,22,23,24,25)
InChIKeyZVBPHMYWBMZFFY-UHFFFAOYSA-N
MW402.24 g/mol
LogP5.99
Rot. Bonds3

About methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate

methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate (PubChem CID 2294384) has the molecular formula C19H13Cl2N3O3 and a molecular weight of 402.24 g/mol. Its IUPAC name is methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate
PubChem CID2294384
Molecular FormulaC19H13Cl2N3O3
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC Namemethyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2cc(Oc3ccc4ccccc4c3Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C19H13Cl2N3O3/c1-26-19(25)24-18-22-13-8-12(20)16(9-14(13)23-18)27-15-7-6-10-4-2-3-5-11(10)17(15)21/h2-9H,1H3,(H2,22,23,24,25)
InChIKeyZVBPHMYWBMZFFY-UHFFFAOYSA-N
XLogP5.99
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.24
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate (CID 2294384) is methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2cc(Oc3ccc4ccccc4c3Cl)c(Cl)cc2[nH]1.
What is the InChIKey of methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate?
The InChIKey is ZVBPHMYWBMZFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3/c1-26-19(25)24-18-22-13-8-12(20)16(9-14(13)23-18)27-15-7-6-10-4-2-3-5-11(10)17(15)21/h2-9H,1H3,(H2,22,23,24,25).
What are the key properties of methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate?
methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate has a molecular weight of 402.24 g/mol, XLogP of 5.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-chloro-5-(1-chloronaphthalen-2-yl)oxy-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 2294384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).