methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate

C9H7ClFN3O2 — CID 4915479

IUPACmethyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1
InChIInChI=1S/C9H7ClFN3O2/c1-16-9(15)14-8-12-6-2-4(10)5(11)3-7(6)13-8/h2-3H,1H3,(H2,12,13,14,15)
InChIKeyUMTNDEOKXFJEKX-UHFFFAOYSA-N
MW243.62 g/mol
LogP2.53
Rot. Bonds1

About methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate

methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate (PubChem CID 4915479) has the molecular formula C9H7ClFN3O2 and a molecular weight of 243.62 g/mol. Its IUPAC name is methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate
PubChem CID4915479
Molecular FormulaC9H7ClFN3O2
Molecular Weight243.62 g/mol
Exact Mass243.02
IUPAC Namemethyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1
InChIInChI=1S/C9H7ClFN3O2/c1-16-9(15)14-8-12-6-2-4(10)5(11)3-7(6)13-8/h2-3H,1H3,(H2,12,13,14,15)
InChIKeyUMTNDEOKXFJEKX-UHFFFAOYSA-N
XLogP2.53
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Carbendazim
CID 25429
Lobendazole
CID 22752
1H-Benzimidazol-2-amine, 6-chloro-
CID 21527
5-Chloro-2-methylbenzimidazole
CID 76063
6-Chloro-1H-benzimidazole-2-methanol
CID 23383
6-Chloro-2-(trifluoromethyl)-1H-benzimidazole
CID 12607
5,6-Dichloro-2-(trifluoromethyl)-1H-benzimidazole
CID 16859
5,6-Dichloro-2-methylbenzimidazole
CID 608319
6-Chloro-5-fluorobenzimidazole
CID 2736527
Methyl (5-chloro-2-benzimidazolyl)carbamate
CID 10263087
5-chloro-2-(trichloromethyl)-1H-benzimidazole
CID 77134
6-Chloro-1H-benzimidazole-2-carboxylic acid
CID 10512110

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate (CID 4915479) is methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate is COC(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1.
What is the InChIKey of methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate?
The InChIKey is UMTNDEOKXFJEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O2/c1-16-9(15)14-8-12-6-2-4(10)5(11)3-7(6)13-8/h2-3H,1H3,(H2,12,13,14,15).
What are the key properties of methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate?
methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate has a molecular weight of 243.62 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 4915479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).