3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide

C20H20N4OS2 — CID 110221863

IUPAC3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
SMILESCn1c(CCC(=O)NC(Cc2ccsc2)c2nccs2)nc2ccccc21
InChIInChI=1S/C20H20N4OS2/c1-24-17-5-3-2-4-15(17)22-18(24)6-7-19(25)23-16(20-21-9-11-27-20)12-14-8-10-26-13-14/h2-5,8-11,13,16H,6-7,12H2,1H3,(H,23,25)
InChIKeyWZMNGNQXRNVRTD-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.12
Rot. Bonds7

About 3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide

3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide (PubChem CID 110221863) has the molecular formula C20H20N4OS2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
PubChem CID110221863
Molecular FormulaC20H20N4OS2
Molecular Weight396.54 g/mol
Exact Mass396.11
IUPAC Name3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
SMILESCn1c(CCC(=O)NC(Cc2ccsc2)c2nccs2)nc2ccccc21
InChIInChI=1S/C20H20N4OS2/c1-24-17-5-3-2-4-15(17)22-18(24)6-7-19(25)23-16(20-21-9-11-27-20)12-14-8-10-26-13-14/h2-5,8-11,13,16H,6-7,12H2,1H3,(H,23,25)
InChIKeyWZMNGNQXRNVRTD-UHFFFAOYSA-N
XLogP4.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
The IUPAC name of 3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide (CID 110221863) is 3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide.
What is the SMILES notation for 3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
The canonical SMILES for 3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide is Cn1c(CCC(=O)NC(Cc2ccsc2)c2nccs2)nc2ccccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
The InChIKey is WZMNGNQXRNVRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS2/c1-24-17-5-3-2-4-15(17)22-18(24)6-7-19(25)23-16(20-21-9-11-27-20)12-14-8-10-26-13-14/h2-5,8-11,13,16H,6-7,12H2,1H3,(H,23,25).
What are the key properties of 3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide has a molecular weight of 396.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-2-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide is sourced from PubChem (CID 110221863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).