2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine

C14H15N3S — CID 66526955

IUPAC2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H15N3S/c1-2-6-13-12(5-1)16-14(17-13)7-8-15-10-11-4-3-9-18-11/h1-6,9,15H,7-8,10H2,(H,16,17)
InChIKeyCSWUJTLLGSMHTO-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.96
Rot. Bonds5

About 2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine

2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 66526955) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID66526955
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CNCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H15N3S/c1-2-6-13-12(5-1)16-14(17-13)7-8-15-10-11-4-3-9-18-11/h1-6,9,15H,7-8,10H2,(H,16,17)
InChIKeyCSWUJTLLGSMHTO-UHFFFAOYSA-N
XLogP2.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 66527309
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
1-[2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-1,3-thiazol-4-yl]-3-thiophen-2-ylpropan-1-one
CID 149291393
2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 66526945
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 17406287
copper;N,N-bis(1H-benzimidazol-2-ylmethyl)-1-thiophen-2-ylmethanamine;dichloride
CID 139158673
2-(1H-benzimidazol-2-yl)-N-[(3-bromophenyl)methyl]ethanamine
CID 66526967
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 53274257
CID 87640795
CID 87640795
4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol
CID 83960714
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 66526955) is 2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine is c1csc(CNCCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is CSWUJTLLGSMHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-2-6-13-12(5-1)16-14(17-13)7-8-15-10-11-4-3-9-18-11/h1-6,9,15H,7-8,10H2,(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine?
2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 257.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 66526955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).