[1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine

C15H21N3S — CID 65038222

IUPAC[1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine
SMILESCCCn1c(C2CCCS2)nc2cc(CN)ccc21
InChIInChI=1S/C15H21N3S/c1-2-7-18-13-6-5-11(10-16)9-12(13)17-15(18)14-4-3-8-19-14/h5-6,9,14H,2-4,7-8,10,16H2,1H3
InChIKeyDYQHFKSDGKOAIO-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.47
Rot. Bonds4

About [1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine

[1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine (PubChem CID 65038222) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is [1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine
PubChem CID65038222
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name[1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine
SMILESCCCn1c(C2CCCS2)nc2cc(CN)ccc21
InChIInChI=1S/C15H21N3S/c1-2-7-18-13-6-5-11(10-16)9-12(13)17-15(18)14-4-3-8-19-14/h5-6,9,14H,2-4,7-8,10,16H2,1H3
InChIKeyDYQHFKSDGKOAIO-UHFFFAOYSA-N
XLogP3.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-propan-2-yl-2-(thian-2-yl)benzimidazol-5-yl]methanamine
CID 80595198
[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 83149878
3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162552
(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine
CID 65040386
5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743
[1-methyl-2-(2-methyloxolan-3-yl)benzimidazol-5-yl]methanamine
CID 79762844
[2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040056
2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid
CID 82142102
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
CID 82990601
4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol
CID 79199391
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224

Frequently Asked Questions

What is the IUPAC name of [1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine (CID 65038222) is [1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine is CCCn1c(C2CCCS2)nc2cc(CN)ccc21.
What is the InChIKey of [1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine?
The InChIKey is DYQHFKSDGKOAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-7-18-13-6-5-11(10-16)9-12(13)17-15(18)14-4-3-8-19-14/h5-6,9,14H,2-4,7-8,10,16H2,1H3.
What are the key properties of [1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine?
[1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine has a molecular weight of 275.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propyl-2-(thiolan-2-yl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 65038222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).