indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

C16H15N3O — CID 18985227

IUPACindolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESO=C(c1ccc2ccccn12)C1CCc2nc[nH]c2C1
InChIInChI=1S/C16H15N3O/c20-16(11-4-6-13-14(9-11)18-10-17-13)15-7-5-12-3-1-2-8-19(12)15/h1-3,5,7-8,10-11H,4,6,9H2,(H,17,18)
InChIKeyMWIQGVTULUWISU-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.65
Rot. Bonds2

About indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (PubChem CID 18985227) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Nameindolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
PubChem CID18985227
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Nameindolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESO=C(c1ccc2ccccn12)C1CCc2nc[nH]c2C1
InChIInChI=1S/C16H15N3O/c20-16(11-4-6-13-14(9-11)18-10-17-13)15-7-5-12-3-1-2-8-19(12)15/h1-3,5,7-8,10-11H,4,6,9H2,(H,17,18)
InChIKeyMWIQGVTULUWISU-UHFFFAOYSA-N
XLogP2.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylindolizin-3-yl)-(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methanone
CID 135892693
[4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 23512746
(4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 22961968
(E)-but-2-enedioic acid;(1-methylindol-3-yl)-[(5S)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
CID 162323456
morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
CID 100660021
(5S)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660418
(5R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661224
(5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 10683521
sulfo 4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylate
CID 141087023
N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640002
but-2-enedioic acid;(1-prop-2-enylindol-3-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 67758827
N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628312

Frequently Asked Questions

What is the IUPAC name of indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The IUPAC name of indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (CID 18985227) is indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is O=C(c1ccc2ccccn12)C1CCc2nc[nH]c2C1.
What is the InChIKey of indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The InChIKey is MWIQGVTULUWISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16(11-4-6-13-14(9-11)18-10-17-13)15-7-5-12-3-1-2-8-19(12)15/h1-3,5,7-8,10-11H,4,6,9H2,(H,17,18).
What are the key properties of indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone has a molecular weight of 265.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 18985227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).