[1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine

C14H15N3S — CID 65040340

IUPAC[1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine
SMILESCn1c(Cc2ccsc2)nc2cc(CN)ccc21
InChIInChI=1S/C14H15N3S/c1-17-13-3-2-10(8-15)6-12(13)16-14(17)7-11-4-5-18-9-11/h2-6,9H,7-8,15H2,1H3
InChIKeyDQDWTNUQHFGVGP-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.68
Rot. Bonds3

About [1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine

[1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine (PubChem CID 65040340) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is [1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine
PubChem CID65040340
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name[1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine
SMILESCn1c(Cc2ccsc2)nc2cc(CN)ccc21
InChIInChI=1S/C14H15N3S/c1-17-13-3-2-10(8-15)6-12(13)16-14(17)7-11-4-5-18-9-11/h2-6,9H,7-8,15H2,1H3
InChIKeyDQDWTNUQHFGVGP-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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Related Compounds

[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65040104
1-methyl-2-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 63891340
[2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65038217
[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65037741
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine
CID 112605673
[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713141
1-(2-methylpropyl)-2-(thiophen-3-ylmethyl)benzimidazole-5-carbonitrile
CID 65040709
[1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]methanamine
CID 103213105
1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol
CID 65040057
[2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713039
[1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine
CID 65037693
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine (CID 65040340) is [1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine is Cn1c(Cc2ccsc2)nc2cc(CN)ccc21.
What is the InChIKey of [1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine?
The InChIKey is DQDWTNUQHFGVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-17-13-3-2-10(8-15)6-12(13)16-14(17)7-11-4-5-18-9-11/h2-6,9H,7-8,15H2,1H3.
What are the key properties of [1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine?
[1-methyl-2-(thiophen-3-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-3-ylmethyl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 65040340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).