2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate

C15H13Cl2N3O3 — CID 175010873

IUPAC2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccccc2[nH]1.Oc1cccc(Cl)c1Cl
InChIInChI=1S/C9H9N3O2.C6H4Cl2O/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8;7-4-2-1-3-5(9)6(4)8/h2-5H,1H3,(H2,10,11,12,13);1-3,9H
InChIKeyFZXVUUSQXVPPQY-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.44
Rot. Bonds1

About 2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate

2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate (PubChem CID 175010873) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is 2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Name2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate
PubChem CID175010873
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC Name2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccccc2[nH]1.Oc1cccc(Cl)c1Cl
InChIInChI=1S/C9H9N3O2.C6H4Cl2O/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8;7-4-2-1-3-5(9)6(4)8/h2-5H,1H3,(H2,10,11,12,13);1-3,9H
InChIKeyFZXVUUSQXVPPQY-UHFFFAOYSA-N
XLogP4.44
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
(2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate
CID 139747232
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
(2-chloro-6-methylphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate
CID 23347988
methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate
CID 118728666
N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide
CID 144524994
2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium
CID 7008854
methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 53463240
hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781
(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide
CID 2089424
2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide
CID 62873677
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887

Frequently Asked Questions

What is the IUPAC name of 2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate?
The IUPAC name of 2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate (CID 175010873) is 2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for 2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for 2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate is COC(=O)Nc1nc2ccccc2[nH]1.Oc1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate?
The InChIKey is FZXVUUSQXVPPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2.C6H4Cl2O/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8;7-4-2-1-3-5(9)6(4)8/h2-5H,1H3,(H2,10,11,12,13);1-3,9H.
What are the key properties of 2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate?
2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate has a molecular weight of 354.19 g/mol, XLogP of 4.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 175010873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).