N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide

C14H21N3O2S — CID 110791583

IUPACN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C14H21N3O2S/c1-4-20(18,19)15-8-7-11-5-6-12-13(9-11)17-14(16-12)10(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyYWDCJWJFAYJVPN-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.17
Rot. Bonds6

About N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide

N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide (PubChem CID 110791583) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
PubChem CID110791583
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C14H21N3O2S/c1-4-20(18,19)15-8-7-11-5-6-12-13(9-11)17-14(16-12)10(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyYWDCJWJFAYJVPN-UHFFFAOYSA-N
XLogP2.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide
CID 110785750
2-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethylamino]acetic acid
CID 112519291
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pentanamide
CID 110791570
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110791569
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796141
[6-[2-(propan-2-ylamino)ethyl]-1H-benzimidazol-2-yl]methanediol
CID 90364939
1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791557
2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 1080111
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110796144

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide (CID 110791583) is N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide?
The InChIKey is YWDCJWJFAYJVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-20(18,19)15-8-7-11-5-6-12-13(9-11)17-14(16-12)10(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide?
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide has a molecular weight of 295.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110791583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).