2-benzylsulfanylimidazol-1-amine

C10H11N3S — CID 22177467

IUPAC2-benzylsulfanylimidazol-1-amine
SMILESNn1ccnc1SCc1ccccc1
InChIInChI=1S/C10H11N3S/c11-13-7-6-12-10(13)14-8-9-4-2-1-3-5-9/h1-7H,8,11H2
InChIKeyNNROXYOMBMFYHC-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.89
Rot. Bonds3

About 2-benzylsulfanylimidazol-1-amine

2-benzylsulfanylimidazol-1-amine (PubChem CID 22177467) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-benzylsulfanylimidazol-1-amine.

Molecular Properties

Compound Name2-benzylsulfanylimidazol-1-amine
PubChem CID22177467
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-benzylsulfanylimidazol-1-amine
SMILESNn1ccnc1SCc1ccccc1
InChIInChI=1S/C10H11N3S/c11-13-7-6-12-10(13)14-8-9-4-2-1-3-5-9/h1-7H,8,11H2
InChIKeyNNROXYOMBMFYHC-UHFFFAOYSA-N
XLogP1.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-[(4-chlorophenyl)methylsulfanyl]imidazole
CID 788065
ethyl 2-(2-benzylsulfanylimidazol-1-yl)acetate
CID 122714791
[3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 43530165
3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 807941
3-benzylsulfanyl-5-(difluoromethyl)-1,2,4-triazol-4-amine
CID 91685671
1-benzyl-5-benzylsulfanyl-1,2,4-triazole
CID 675230
4-benzylsulfanyltriazol-1-amine
CID 21423107
2,5-bis(benzylsulfanyl)cyclohexa-2,5-diene-1,4-dione
CID 54305778
2-[(1-benzylimidazol-2-yl)sulfanylmethyl]benzoic acid
CID 71378670
3-benzyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 91679075
5-benzylsulfanyl-3-N-(cyclopentylideneamino)-1,2,4-triazole-3,4-diamine
CID 17077281
5-benzylsulfanyl-3-N-[(Z)-1-phenylethylideneamino]-1,2,4-triazole-3,4-diamine
CID 28693681

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanylimidazol-1-amine?
The IUPAC name of 2-benzylsulfanylimidazol-1-amine (CID 22177467) is 2-benzylsulfanylimidazol-1-amine.
What is the SMILES notation for 2-benzylsulfanylimidazol-1-amine?
The canonical SMILES for 2-benzylsulfanylimidazol-1-amine is Nn1ccnc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanylimidazol-1-amine?
The InChIKey is NNROXYOMBMFYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-13-7-6-12-10(13)14-8-9-4-2-1-3-5-9/h1-7H,8,11H2.
What are the key properties of 2-benzylsulfanylimidazol-1-amine?
2-benzylsulfanylimidazol-1-amine has a molecular weight of 205.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanylimidazol-1-amine is sourced from PubChem (CID 22177467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).