N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide

C12H17N3O2S — CID 110785750

IUPACN-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide
SMILESCC(C)c1nc2ccc(CNS(C)(=O)=O)cc2[nH]1
InChIInChI=1S/C12H17N3O2S/c1-8(2)12-14-10-5-4-9(6-11(10)15-12)7-13-18(3,16)17/h4-6,8,13H,7H2,1-3H3,(H,14,15)
InChIKeyILRMWSMZXFFFIX-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.74
Rot. Bonds4

About N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide

N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide (PubChem CID 110785750) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide
PubChem CID110785750
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide
SMILESCC(C)c1nc2ccc(CNS(C)(=O)=O)cc2[nH]1
InChIInChI=1S/C12H17N3O2S/c1-8(2)12-14-10-5-4-9(6-11(10)15-12)7-13-18(3,16)17/h4-6,8,13H,7H2,1-3H3,(H,14,15)
InChIKeyILRMWSMZXFFFIX-UHFFFAOYSA-N
XLogP1.74
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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]ethanesulfonamide
CID 110791583
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]acetic acid
CID 82498520
3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
CID 110785720
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 1080111
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785739
methyl 4-oxo-4-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]butanoate
CID 110785722
6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen
CID 142431788
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 117293706
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide (CID 110785750) is N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide is CC(C)c1nc2ccc(CNS(C)(=O)=O)cc2[nH]1.
What is the InChIKey of N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide?
The InChIKey is ILRMWSMZXFFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8(2)12-14-10-5-4-9(6-11(10)15-12)7-13-18(3,16)17/h4-6,8,13H,7H2,1-3H3,(H,14,15).
What are the key properties of N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide?
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110785750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).