N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine

C17H19N3S — CID 110377206

IUPACN-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine
SMILESCCSCc1ccc(Nc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C17H19N3S/c1-3-21-11-13-5-7-14(8-6-13)18-17-19-15-9-4-12(2)10-16(15)20-17/h4-10H,3,11H2,1-2H3,(H2,18,19,20)
InChIKeyAIRYYISQIIAUKB-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.87
Rot. Bonds5

About N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine

N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine (PubChem CID 110377206) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine
PubChem CID110377206
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine
SMILESCCSCc1ccc(Nc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C17H19N3S/c1-3-21-11-13-5-7-14(8-6-13)18-17-19-15-9-4-12(2)10-16(15)20-17/h4-10H,3,11H2,1-2H3,(H2,18,19,20)
InChIKeyAIRYYISQIIAUKB-UHFFFAOYSA-N
XLogP4.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[4-(propylsulfanylmethyl)phenyl]-1H-benzimidazol-2-amine
CID 110377229
6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine
CID 110377051
6-methyl-N-(4-propan-2-yloxyphenyl)-1H-benzimidazol-2-amine
CID 110375259
6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
CID 110376992
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
CID 101429158
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
CID 82563483
N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 82564325

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine (CID 110377206) is N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine is CCSCc1ccc(Nc2nc3ccc(C)cc3[nH]2)cc1.
What is the InChIKey of N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine?
The InChIKey is AIRYYISQIIAUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-3-21-11-13-5-7-14(8-6-13)18-17-19-15-9-4-12(2)10-16(15)20-17/h4-10H,3,11H2,1-2H3,(H2,18,19,20).
What are the key properties of N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine?
N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine has a molecular weight of 297.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfanylmethyl)phenyl]-6-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 110377206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).