N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate

C10H9ClN3O2- — CID 57361833

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)[O-]
InChIInChI=1S/C10H10ClN3O2/c1-14(10(15)16)5-9-12-7-3-2-6(11)4-8(7)13-9/h2-4H,5H2,1H3,(H,12,13)(H,15,16)/p-1
InChIKeyKIQQHMLFFJORIN-UHFFFAOYSA-M
MW238.65 g/mol
LogP0.99
Rot. Bonds2

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate (PubChem CID 57361833) has the molecular formula C10H9ClN3O2- and a molecular weight of 238.65 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
PubChem CID57361833
Molecular FormulaC10H9ClN3O2-
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)[O-]
InChIInChI=1S/C10H10ClN3O2/c1-14(10(15)16)5-9-12-7-3-2-6(11)4-8(7)13-9/h2-4H,5H2,1H3,(H,12,13)(H,15,16)/p-1
InChIKeyKIQQHMLFFJORIN-UHFFFAOYSA-M
XLogP0.99
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
CID 131946800
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 125174045
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide
CID 72936130
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide
CID 124752699
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
CID 72922696
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 46964835
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide
CID 75258578
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
3-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(2,5-difluorophenyl)propanamide
CID 91829665
1-(azepan-1-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]ethanone
CID 134696462
6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 134703059

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate (CID 57361833) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate is CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)[O-].
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate?
The InChIKey is KIQQHMLFFJORIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10ClN3O2/c1-14(10(15)16)5-9-12-7-3-2-6(11)4-8(7)13-9/h2-4H,5H2,1H3,(H,12,13)(H,15,16)/p-1.
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate has a molecular weight of 238.65 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 57361833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).