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

C9H8ClN3O2 — CID 10263087

IUPACmethyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C9H8ClN3O2/c1-15-9(14)13-8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H2,11,12,13,14)
InChIKeyVLEJNRYXCWJNPA-UHFFFAOYSA-N
MW225.64 g/mol
LogP2.39
Rot. Bonds1

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

methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate (PubChem CID 10263087) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate
PubChem CID10263087
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Namemethyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C9H8ClN3O2/c1-15-9(14)13-8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H2,11,12,13,14)
InChIKeyVLEJNRYXCWJNPA-UHFFFAOYSA-N
XLogP2.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate (CID 10263087) is methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate is COC(=O)Nc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate?
The InChIKey is VLEJNRYXCWJNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-15-9(14)13-8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H2,11,12,13,14).
What are the key properties of methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate?
methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate has a molecular weight of 225.64 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 10263087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).