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

C16H19N3S — CID 62841314

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1nc2ccccc2n1C)c1ccsc1
InChIInChI=1S/C16H19N3S/c1-11(13-8-9-20-10-13)17-12(2)16-18-14-6-4-5-7-15(14)19(16)3/h4-12,17H,1-3H3
InChIKeyJNPMVWQNLOGCND-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.05
Rot. Bonds4

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

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine (PubChem CID 62841314) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
PubChem CID62841314
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1nc2ccccc2n1C)c1ccsc1
InChIInChI=1S/C16H19N3S/c1-11(13-8-9-20-10-13)17-12(2)16-18-14-6-4-5-7-15(14)19(16)3/h4-12,17H,1-3H3
InChIKeyJNPMVWQNLOGCND-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine
CID 66351451
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
1-(1-methylbenzimidazol-2-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43703094
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine
CID 43371877
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol
CID 110931079
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364
N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
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]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine (CID 62841314) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine is CC(NC(C)c1nc2ccccc2n1C)c1ccsc1.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is JNPMVWQNLOGCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11(13-8-9-20-10-13)17-12(2)16-18-14-6-4-5-7-15(14)19(16)3/h4-12,17H,1-3H3.
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine has a molecular weight of 285.42 g/mol, XLogP of 4.05, 4 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]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62841314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).