5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one

C20H15N5OS — CID 133453486

IUPAC5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(CNc3nc(-c4ccsc4)nc4ccccc34)cc2[nH]1
InChIInChI=1S/C20H15N5OS/c26-20-23-16-6-5-12(9-17(16)24-20)10-21-19-14-3-1-2-4-15(14)22-18(25-19)13-7-8-27-11-13/h1-9,11H,10H2,(H,21,22,25)(H2,23,24,26)
InChIKeyBEGALSNSCOJLJW-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.14
Rot. Bonds4

About 5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 133453486) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is 5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID133453486
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC Name5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(CNc3nc(-c4ccsc4)nc4ccccc34)cc2[nH]1
InChIInChI=1S/C20H15N5OS/c26-20-23-16-6-5-12(9-17(16)24-20)10-21-19-14-3-1-2-4-15(14)22-18(25-19)13-7-8-27-11-13/h1-9,11H,10H2,(H,21,22,25)(H2,23,24,26)
InChIKeyBEGALSNSCOJLJW-UHFFFAOYSA-N
XLogP4.14
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one (CID 133453486) is 5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(CNc3nc(-c4ccsc4)nc4ccccc34)cc2[nH]1.
What is the InChIKey of 5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BEGALSNSCOJLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c26-20-23-16-6-5-12(9-17(16)24-20)10-21-19-14-3-1-2-4-15(14)22-18(25-19)13-7-8-27-11-13/h1-9,11H,10H2,(H,21,22,25)(H2,23,24,26).
What are the key properties of 5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 373.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 133453486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).