N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine

C16H19N3S — CID 63001491

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1nc2ccccc2n1C
InChIInChI=1S/C16H19N3S/c1-12(9-13-7-8-20-11-13)17-10-16-18-14-5-3-4-6-15(14)19(16)2/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyZMOCCSKLPXHIFS-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.36
Rot. Bonds5

About N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 63001491) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID63001491
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1nc2ccccc2n1C
InChIInChI=1S/C16H19N3S/c1-12(9-13-7-8-20-11-13)17-10-16-18-14-5-3-4-6-15(14)19(16)2/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyZMOCCSKLPXHIFS-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61221729
1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine
CID 63000965
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640025
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 62998610
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703049
N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 112582241
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 78921225
(1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 7059784
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63455663
3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 110221863

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 63001491) is N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCc1nc2ccccc2n1C.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is ZMOCCSKLPXHIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-12(9-13-7-8-20-11-13)17-10-16-18-14-5-3-4-6-15(14)19(16)2/h3-8,11-12,17H,9-10H2,1-2H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 285.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 63001491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).