N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide

C15H17N5O2S — CID 75391678

IUPACN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCc2cccc(Cn3ccnc3)c2)[nH]1
InChIInChI=1S/C15H17N5O2S/c1-12-17-9-15(19-12)23(21,22)18-8-13-3-2-4-14(7-13)10-20-6-5-16-11-20/h2-7,9,11,18H,8,10H2,1H3,(H,17,19)
InChIKeyJGKWDMCRRMXLGJ-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.44
Rot. Bonds6

About N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 75391678) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID75391678
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCc2cccc(Cn3ccnc3)c2)[nH]1
InChIInChI=1S/C15H17N5O2S/c1-12-17-9-15(19-12)23(21,22)18-8-13-3-2-4-14(7-13)10-20-6-5-16-11-20/h2-7,9,11,18H,8,10H2,1H3,(H,17,19)
InChIKeyJGKWDMCRRMXLGJ-UHFFFAOYSA-N
XLogP1.44
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 55905053
3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743654
3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide
CID 146108457
3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
CID 43737809
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 86831480
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[3-(methylsulfonylmethyl)phenyl]urea
CID 86871548
1-[(4-chlorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine
CID 111131939
3-(imidazol-1-ylmethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62742474
1-[(4-fluoro-3-methylphenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111853561
ethyl N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-3-oxopropyl]carbamate
CID 55683728

Frequently Asked Questions

What is the IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 75391678) is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCc2cccc(Cn3ccnc3)c2)[nH]1.
What is the InChIKey of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is JGKWDMCRRMXLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-12-17-9-15(19-12)23(21,22)18-8-13-3-2-4-14(7-13)10-20-6-5-16-11-20/h2-7,9,11,18H,8,10H2,1H3,(H,17,19).
What are the key properties of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 75391678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).