(6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline

C20H17N3S — CID 941301

IUPAC(6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline
SMILESCCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccsc1
InChIInChI=1S/C20H17N3S/c1-2-22-17-9-5-3-7-15(17)19-21-16-8-4-6-10-18(16)23(19)20(22)14-11-12-24-13-14/h3-13,20H,2H2,1H3/t20-/m0/s1
InChIKeyIWXYHGHYUJJFOK-FQEVSTJZSA-N
MW331.44 g/mol
LogP5.15
Rot. Bonds2

About (6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline

(6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline (PubChem CID 941301) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name(6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline
PubChem CID941301
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name(6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline
SMILESCCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccsc1
InChIInChI=1S/C20H17N3S/c1-2-22-17-9-5-3-7-15(17)19-21-16-8-4-6-10-18(16)23(19)20(22)14-11-12-24-13-14/h3-13,20H,2H2,1H3/t20-/m0/s1
InChIKeyIWXYHGHYUJJFOK-FQEVSTJZSA-N
XLogP5.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline?
The IUPAC name of (6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline (CID 941301) is (6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for (6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for (6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline is CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccsc1.
What is the InChIKey of (6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline?
The InChIKey is IWXYHGHYUJJFOK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17N3S/c1-2-22-17-9-5-3-7-15(17)19-21-16-8-4-6-10-18(16)23(19)20(22)14-11-12-24-13-14/h3-13,20H,2H2,1H3/t20-/m0/s1.
What are the key properties of (6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline?
(6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline has a molecular weight of 331.44 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-ethyl-6-thiophen-3-yl-6H-benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 941301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).