[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine

C16H19N3S — CID 80728920

IUPAC[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCc1cc2ncn(Cc3cc(CN)sc3C)c2cc1C
InChIInChI=1S/C16H19N3S/c1-10-4-15-16(5-11(10)2)19(9-18-15)8-13-6-14(7-17)20-12(13)3/h4-6,9H,7-8,17H2,1-3H3
InChIKeyUOXNVVUDRDCLBM-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.53
Rot. Bonds3

About [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine

[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine (PubChem CID 80728920) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
PubChem CID80728920
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCc1cc2ncn(Cc3cc(CN)sc3C)c2cc1C
InChIInChI=1S/C16H19N3S/c1-10-4-15-16(5-11(10)2)19(9-18-15)8-13-6-14(7-17)20-12(13)3/h4-6,9H,7-8,17H2,1-3H3
InChIKeyUOXNVVUDRDCLBM-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine?
The IUPAC name of [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine (CID 80728920) is [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine?
The canonical SMILES for [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine is Cc1cc2ncn(Cc3cc(CN)sc3C)c2cc1C.
What is the InChIKey of [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine?
The InChIKey is UOXNVVUDRDCLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-10-4-15-16(5-11(10)2)19(9-18-15)8-13-6-14(7-17)20-12(13)3/h4-6,9H,7-8,17H2,1-3H3.
What are the key properties of [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine?
[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine has a molecular weight of 285.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 80728920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).