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

C16H19N3S — CID 79753969

IUPAC[5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine
SMILESCCCn1c(Cc2ccc(CN)s2)nc2ccccc21
InChIInChI=1S/C16H19N3S/c1-2-9-19-15-6-4-3-5-14(15)18-16(19)10-12-7-8-13(11-17)20-12/h3-8H,2,9-11,17H2,1H3
InChIKeyUIJAPBCWHYOTGJ-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.56
Rot. Bonds5

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

[5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 79753969) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is [5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine
PubChem CID79753969
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name[5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine
SMILESCCCn1c(Cc2ccc(CN)s2)nc2ccccc21
InChIInChI=1S/C16H19N3S/c1-2-9-19-15-6-4-3-5-14(15)18-16(19)10-12-7-8-13(11-17)20-12/h3-8H,2,9-11,17H2,1H3
InChIKeyUIJAPBCWHYOTGJ-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79755294
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine
CID 79755479
2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole
CID 79754826
2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 112565050
2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole
CID 102824508
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 102824874
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82144722

Frequently Asked Questions

What is the IUPAC name of [5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine (CID 79753969) is [5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine is CCCn1c(Cc2ccc(CN)s2)nc2ccccc21.
What is the InChIKey of [5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is UIJAPBCWHYOTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-9-19-15-6-4-3-5-14(15)18-16(19)10-12-7-8-13(11-17)20-12/h3-8H,2,9-11,17H2,1H3.
What are the key properties of [5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine?
[5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 285.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 79753969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).