2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

C17H21N3S — CID 62562633

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1cc2ncn(C(C)CNCc3cccs3)c2cc1C
InChIInChI=1S/C17H21N3S/c1-12-7-16-17(8-13(12)2)20(11-19-16)14(3)9-18-10-15-5-4-6-21-15/h4-8,11,14,18H,9-10H2,1-3H3
InChIKeyNHHUUDORXJQHJG-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.07
Rot. Bonds5

About 2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 62562633) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID62562633
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1cc2ncn(C(C)CNCc3cccs3)c2cc1C
InChIInChI=1S/C17H21N3S/c1-12-7-16-17(8-13(12)2)20(11-19-16)14(3)9-18-10-15-5-4-6-21-15/h4-8,11,14,18H,9-10H2,1-3H3
InChIKeyNHHUUDORXJQHJG-UHFFFAOYSA-N
XLogP4.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62446647
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62566958
2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55089239
2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 79184426
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 103503524
2-(5,6-dimethylbenzimidazol-1-yl)-N-propylbutan-1-amine
CID 62447956
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62558327
2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798902
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 62562633) is 2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is Cc1cc2ncn(C(C)CNCc3cccs3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is NHHUUDORXJQHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-12-7-16-17(8-13(12)2)20(11-19-16)14(3)9-18-10-15-5-4-6-21-15/h4-8,11,14,18H,9-10H2,1-3H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62562633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).