N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide

C10H13ClN4O2S — CID 43662133

IUPACN-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C10H13ClN4O2S/c1-18(16,17)13-5-6-15-9-7(11)3-2-4-8(9)14-10(15)12/h2-4,13H,5-6H2,1H3,(H2,12,14)
InChIKeyXIWKKMOORLYPHR-UHFFFAOYSA-N
MW288.76 g/mol
LogP0.82
Rot. Bonds4

About N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide

N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide (PubChem CID 43662133) has the molecular formula C10H13ClN4O2S and a molecular weight of 288.76 g/mol. Its IUPAC name is N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide
PubChem CID43662133
Molecular FormulaC10H13ClN4O2S
Molecular Weight288.76 g/mol
Exact Mass288.04
IUPAC NameN-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C10H13ClN4O2S/c1-18(16,17)13-5-6-15-9-7(11)3-2-4-8(9)14-10(15)12/h2-4,13H,5-6H2,1H3,(H2,12,14)
InChIKeyXIWKKMOORLYPHR-UHFFFAOYSA-N
XLogP0.82
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
CID 43667669
methyl 3-(2-amino-7-chlorobenzimidazol-1-yl)propanoate
CID 61294077
3-(2-amino-7-chlorobenzimidazol-1-yl)propanoic acid
CID 84736897
3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol
CID 91671805
N-[2-[2-(chloromethyl)-7-methylbenzimidazol-1-yl]ethyl]methanesulfonamide
CID 115553019
7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 55097622
7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763128
7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106419701
7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine
CID 102906797
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
N-[2-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)ethyl]methanesulfonamide
CID 115322213
7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115552409

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide (CID 43662133) is N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCn1c(N)nc2cccc(Cl)c21.
What is the InChIKey of N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is XIWKKMOORLYPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2S/c1-18(16,17)13-5-6-15-9-7(11)3-2-4-8(9)14-10(15)12/h2-4,13H,5-6H2,1H3,(H2,12,14).
What are the key properties of N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide?
N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 288.76 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 43662133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).