N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine

C17H21N3S — CID 50979337

IUPACN-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCc1ccc2[nH]c(CNC(C)Cc3cccs3)nc2c1C
InChIInChI=1S/C17H21N3S/c1-11-6-7-15-17(13(11)3)20-16(19-15)10-18-12(2)9-14-5-4-8-21-14/h4-8,12,18H,9-10H2,1-3H3,(H,19,20)
InChIKeyVJDBMFQARLWHFS-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.96
Rot. Bonds5

About N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine

N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 50979337) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID50979337
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCc1ccc2[nH]c(CNC(C)Cc3cccs3)nc2c1C
InChIInChI=1S/C17H21N3S/c1-11-6-7-15-17(13(11)3)20-16(19-15)10-18-12(2)9-14-5-4-8-21-14/h4-8,12,18H,9-10H2,1-3H3,(H,19,20)
InChIKeyVJDBMFQARLWHFS-UHFFFAOYSA-N
XLogP3.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432807
(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
CID 115890239
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 82893826
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432739
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432764
4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
CID 60978360
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 64800130
N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
CID 104668568
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 66416209
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine (CID 50979337) is N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine is Cc1ccc2[nH]c(CNC(C)Cc3cccs3)nc2c1C.
What is the InChIKey of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is VJDBMFQARLWHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-11-6-7-15-17(13(11)3)20-16(19-15)10-18-12(2)9-14-5-4-8-21-14/h4-8,12,18H,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 50979337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).