N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine

C14H15N3S — CID 66351451

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine
SMILESCC(Nc1ccsc1)c1nc2ccccc2n1C
InChIInChI=1S/C14H15N3S/c1-10(15-11-7-8-18-9-11)14-16-12-5-3-4-6-13(12)17(14)2/h3-10,15H,1-2H3
InChIKeyKNUSJJDRVZKWCV-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.81
Rot. Bonds3

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine

N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine (PubChem CID 66351451) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine
PubChem CID66351451
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine
SMILESCC(Nc1ccsc1)c1nc2ccccc2n1C
InChIInChI=1S/C14H15N3S/c1-10(15-11-7-8-18-9-11)14-16-12-5-3-4-6-13(12)17(14)2/h3-10,15H,1-2H3
InChIKeyKNUSJJDRVZKWCV-UHFFFAOYSA-N
XLogP3.81
TPSA29.85 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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62841314
3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43195422
4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194560
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine
CID 43190607
3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194264
1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one
CID 60932031
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43123935
1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
CID 43543411
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine (CID 66351451) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine is CC(Nc1ccsc1)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine?
The InChIKey is KNUSJJDRVZKWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10(15-11-7-8-18-9-11)14-16-12-5-3-4-6-13(12)17(14)2/h3-10,15H,1-2H3.
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine has a molecular weight of 257.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine is sourced from PubChem (CID 66351451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).