2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole

C15H14N4 — CID 149013956

IUPAC2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1nc(N3CC4C[C@H]4C3)ccn12
InChIInChI=1S/C15H14N4/c1-2-4-13-12(3-1)16-15-17-14(5-6-19(13)15)18-8-10-7-11(10)9-18/h1-6,10-11H,7-9H2/t10-,11?/m0/s1
InChIKeyQCEIHUNQJSTPKS-VUWPPUDQSA-N
MW250.31 g/mol
LogP2.34
Rot. Bonds1

About 2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole

2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole (PubChem CID 149013956) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole
PubChem CID149013956
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1nc(N3CC4C[C@H]4C3)ccn12
InChIInChI=1S/C15H14N4/c1-2-4-13-12(3-1)16-15-17-14(5-6-19(13)15)18-8-10-7-11(10)9-18/h1-6,10-11H,7-9H2/t10-,11?/m0/s1
InChIKeyQCEIHUNQJSTPKS-VUWPPUDQSA-N
XLogP2.34
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol
CID 58362653
2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177185487
2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethane-1,1,1-triol
CID 166811396
2-pentylpyrimido[1,2-a]benzimidazole
CID 67303420
2-ethylpyrimido[1,2-a]benzimidazole
CID 86020727
2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
CID 11851221
2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole
CID 140959426
2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177311837
[1,1-dideuterio-2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethyl] benzoate
CID 155272482
N-[6-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)hexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 176654993
tert-butyl 2-[2-[2-[2-oxo-2-(4-pyrimido[1,2-a]benzimidazol-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]acetate
CID 134489367
3-pyrimido[1,2-a]benzimidazol-2-ylphenol
CID 58362501

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole (CID 149013956) is 2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole is c1ccc2c(c1)nc1nc(N3CC4C[C@H]4C3)ccn12.
What is the InChIKey of 2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole?
The InChIKey is QCEIHUNQJSTPKS-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-4-13-12(3-1)16-15-17-14(5-6-19(13)15)18-8-10-7-11(10)9-18/h1-6,10-11H,7-9H2/t10-,11?/m0/s1.
What are the key properties of 2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole?
2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole has a molecular weight of 250.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 149013956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).