4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine

C22H24N4OS — CID 24789400

IUPAC4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCCCn1c(C(C)Nc2nc(-c3ccc(OC)cc3)cs2)nc2ccccc21
InChIInChI=1S/C22H24N4OS/c1-4-13-26-20-8-6-5-7-18(20)24-21(26)15(2)23-22-25-19(14-28-22)16-9-11-17(27-3)12-10-16/h5-12,14-15H,4,13H2,1-3H3,(H,23,25)
InChIKeyMQHQRZWPRRRMOH-UHFFFAOYSA-N
MW392.53 g/mol
LogP5.75
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine

4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 24789400) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID24789400
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCCCn1c(C(C)Nc2nc(-c3ccc(OC)cc3)cs2)nc2ccccc21
InChIInChI=1S/C22H24N4OS/c1-4-13-26-20-8-6-5-7-18(20)24-21(26)15(2)23-22-25-19(14-28-22)16-9-11-17(27-3)12-10-16/h5-12,14-15H,4,13H2,1-3H3,(H,23,25)
InChIKeyMQHQRZWPRRRMOH-UHFFFAOYSA-N
XLogP5.75
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine (CID 24789400) is 4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine is CCCn1c(C(C)Nc2nc(-c3ccc(OC)cc3)cs2)nc2ccccc21.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is MQHQRZWPRRRMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-4-13-26-20-8-6-5-7-18(20)24-21(26)15(2)23-22-25-19(14-28-22)16-9-11-17(27-3)12-10-16/h5-12,14-15H,4,13H2,1-3H3,(H,23,25).
What are the key properties of 4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 392.53 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24789400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).