2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

C15H14N4O — CID 72927448

IUPAC2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESO=C1NCCCc2[nH]c(-c3cc4ccccc4[nH]3)nc21
InChIInChI=1S/C15H14N4O/c20-15-13-11(6-3-7-16-15)18-14(19-13)12-8-9-4-1-2-5-10(9)17-12/h1-2,4-5,8,17H,3,6-7H2,(H,16,20)(H,18,19)
InChIKeyWOJKHEKUNRRICY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.23
Rot. Bonds1

About 2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (PubChem CID 72927448) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
PubChem CID72927448
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
SMILESO=C1NCCCc2[nH]c(-c3cc4ccccc4[nH]3)nc21
InChIInChI=1S/C15H14N4O/c20-15-13-11(6-3-7-16-15)18-14(19-13)12-8-9-4-1-2-5-10(9)17-12/h1-2,4-5,8,17H,3,6-7H2,(H,16,20)(H,18,19)
InChIKeyWOJKHEKUNRRICY-UHFFFAOYSA-N
XLogP2.23
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The IUPAC name of 2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one (CID 72927448) is 2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The canonical SMILES for 2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is O=C1NCCCc2[nH]c(-c3cc4ccccc4[nH]3)nc21.
What is the InChIKey of 2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
The InChIKey is WOJKHEKUNRRICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15-13-11(6-3-7-16-15)18-14(19-13)12-8-9-4-1-2-5-10(9)17-12/h1-2,4-5,8,17H,3,6-7H2,(H,16,20)(H,18,19).
What are the key properties of 2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one?
2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.23, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 72927448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).