1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine

C14H13N3S — CID 82067751

IUPAC1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine
SMILESC=CCn1c(-c2cccs2)nc2c(N)cccc21
InChIInChI=1S/C14H13N3S/c1-2-8-17-11-6-3-5-10(15)13(11)16-14(17)12-7-4-9-18-12/h2-7,9H,1,8,15H2
InChIKeyLBXLJKQNUUQDAI-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.53
Rot. Bonds3

About 1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine

1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine (PubChem CID 82067751) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine
PubChem CID82067751
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine
SMILESC=CCn1c(-c2cccs2)nc2c(N)cccc21
InChIInChI=1S/C14H13N3S/c1-2-8-17-11-6-3-5-10(15)13(11)16-14(17)12-7-4-9-18-12/h2-7,9H,1,8,15H2
InChIKeyLBXLJKQNUUQDAI-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.53
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-ylmethyl)benzimidazol-4-amine
CID 82067980
2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067742
2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine
CID 82067903
9-prop-2-enyl-8-thiophen-2-yl-3H-purine-6-thione
CID 3408934
2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 938483
1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
CID 82067986
1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
CID 17000270
2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067994
7-amino-3-prop-2-enyl-1,3-benzoxazol-2-one
CID 28802572
1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole
CID 830206
3-tert-butyl-5-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
CID 133494786
2-thiophen-2-ylbenzene-1,3-diamine
CID 69383856

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine?
The IUPAC name of 1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine (CID 82067751) is 1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine.
What is the SMILES notation for 1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine?
The canonical SMILES for 1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine is C=CCn1c(-c2cccs2)nc2c(N)cccc21.
What is the InChIKey of 1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine?
The InChIKey is LBXLJKQNUUQDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-2-8-17-11-6-3-5-10(15)13(11)16-14(17)12-7-4-9-18-12/h2-7,9H,1,8,15H2.
What are the key properties of 1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine?
1-prop-2-enyl-2-thiophen-2-ylbenzimidazol-4-amine has a molecular weight of 255.35 g/mol, XLogP of 3.53, 3 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-ylbenzimidazol-4-amine is sourced from PubChem (CID 82067751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).