5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide

C17H14ClN3OS — CID 71797972

IUPAC5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccc(Cl)s1
InChIInChI=1S/C17H14ClN3OS/c18-15-8-7-14(23-15)17(22)20-12-5-3-11(4-6-12)13-10-19-16-2-1-9-21(13)16/h3-8,10H,1-2,9H2,(H,20,22)
InChIKeyJQSPDXJDJWLEJU-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.46
Rot. Bonds3

About 5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide

5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 71797972) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide
PubChem CID71797972
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccc(Cl)s1
InChIInChI=1S/C17H14ClN3OS/c18-15-8-7-14(23-15)17(22)20-12-5-3-11(4-6-12)13-10-19-16-2-1-9-21(13)16/h3-8,10H,1-2,9H2,(H,20,22)
InChIKeyJQSPDXJDJWLEJU-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide (CID 71797972) is 5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is JQSPDXJDJWLEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-15-8-7-14(23-15)17(22)20-12-5-3-11(4-6-12)13-10-19-16-2-1-9-21(13)16/h3-8,10H,1-2,9H2,(H,20,22).
What are the key properties of 5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide?
5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 71797972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).