1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine

C15H15N3S — CID 82067980

IUPAC1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
SMILESC=CCn1c(Cc2cccs2)nc2c(N)cccc21
InChIInChI=1S/C15H15N3S/c1-2-8-18-13-7-3-6-12(16)15(13)17-14(18)10-11-5-4-9-19-11/h2-7,9H,1,8,10,16H2
InChIKeyGIAVUOSRDDKBQZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.46
Rot. Bonds4

About 1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine

1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine (PubChem CID 82067980) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
PubChem CID82067980
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
SMILESC=CCn1c(Cc2cccs2)nc2c(N)cccc21
InChIInChI=1S/C15H15N3S/c1-2-8-18-13-7-3-6-12(16)15(13)17-14(18)10-11-5-4-9-19-11/h2-7,9H,1,8,10,16H2
InChIKeyGIAVUOSRDDKBQZ-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine
CID 82067751
1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
CID 82067986
2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067994
2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine
CID 82067903
7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one
CID 28802572
3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82144722
4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
CID 82144723
2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol
CID 82068013
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 104836904
2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067742
4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 104837421
2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline
CID 82557902

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine?
The IUPAC name of 1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine (CID 82067980) is 1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine.
What is the SMILES notation for 1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine?
The canonical SMILES for 1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine is C=CCn1c(Cc2cccs2)nc2c(N)cccc21.
What is the InChIKey of 1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine?
The InChIKey is GIAVUOSRDDKBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-8-18-13-7-3-6-12(16)15(13)17-14(18)10-11-5-4-9-19-11/h2-7,9H,1,8,10,16H2.
What are the key properties of 1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine?
1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine has a molecular weight of 269.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine is sourced from PubChem (CID 82067980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).