[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine

C14H15N3S — CID 65040104

IUPAC[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine
SMILESCn1c(Cc2cccs2)nc2cc(CN)ccc21
InChIInChI=1S/C14H15N3S/c1-17-13-5-4-10(9-15)7-12(13)16-14(17)8-11-3-2-6-18-11/h2-7H,8-9,15H2,1H3
InChIKeyHSSSCCDDVCYYEA-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.68
Rot. Bonds3

About [1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine

[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine (PubChem CID 65040104) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is [1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine
PubChem CID65040104
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine
SMILESCn1c(Cc2cccs2)nc2cc(CN)ccc21
InChIInChI=1S/C14H15N3S/c1-17-13-5-4-10(9-15)7-12(13)16-14(17)8-11-3-2-6-18-11/h2-7H,8-9,15H2,1H3
InChIKeyHSSSCCDDVCYYEA-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine (CID 65040104) is [1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine is Cn1c(Cc2cccs2)nc2cc(CN)ccc21.
What is the InChIKey of [1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine?
The InChIKey is HSSSCCDDVCYYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-17-13-5-4-10(9-15)7-12(13)16-14(17)8-11-3-2-6-18-11/h2-7H,8-9,15H2,1H3.
What are the key properties of [1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine?
[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine has a molecular weight of 257.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 65040104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).