1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine

C15H17N3S — CID 80728741

IUPAC1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(Cn2cnc3ccccc32)c(C)s1
InChIInChI=1S/C15H17N3S/c1-11-12(7-13(19-11)8-16-2)9-18-10-17-14-5-3-4-6-15(14)18/h3-7,10,16H,8-9H2,1-2H3
InChIKeyKAWWQVSJZMPPTF-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.17
Rot. Bonds4

About 1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine

1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine (PubChem CID 80728741) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine
PubChem CID80728741
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(Cn2cnc3ccccc32)c(C)s1
InChIInChI=1S/C15H17N3S/c1-11-12(7-13(19-11)8-16-2)9-18-10-17-14-5-3-4-6-15(14)18/h3-7,10,16H,8-9H2,1-2H3
InChIKeyKAWWQVSJZMPPTF-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine (CID 80728741) is 1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine is CNCc1cc(Cn2cnc3ccccc32)c(C)s1.
What is the InChIKey of 1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is KAWWQVSJZMPPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11-12(7-13(19-11)8-16-2)9-18-10-17-14-5-3-4-6-15(14)18/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of 1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine?
1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 271.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 80728741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).