2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine

C14H15N3S — CID 55175058

IUPAC2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1Cc1ccsc1
InChIInChI=1S/C14H15N3S/c1-2-14-16-12-7-11(15)3-4-13(12)17(14)8-10-5-6-18-9-10/h3-7,9H,2,8,15H2,1H3
InChIKeyNJVSFXHMAMCMDZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.29
Rot. Bonds3

About 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine

2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine (PubChem CID 55175058) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine
PubChem CID55175058
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1Cc1ccsc1
InChIInChI=1S/C14H15N3S/c1-2-14-16-12-7-11(15)3-4-13(12)17(14)8-10-5-6-18-9-10/h3-7,9H,2,8,15H2,1H3
InChIKeyNJVSFXHMAMCMDZ-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 63246728
2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine
CID 55079804
1-[(3-chlorophenyl)methyl]-2-ethylbenzimidazol-5-amine
CID 62533807
2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 55079755
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine
CID 106408016
2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole
CID 63246452
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol
CID 106254051
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
CID 79550091
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole
CID 63599156

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine (CID 55175058) is 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1Cc1ccsc1.
What is the InChIKey of 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine?
The InChIKey is NJVSFXHMAMCMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-2-14-16-12-7-11(15)3-4-13(12)17(14)8-10-5-6-18-9-10/h3-7,9H,2,8,15H2,1H3.
What are the key properties of 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine?
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine has a molecular weight of 257.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 55175058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).