(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone

C19H21N5O3 — CID 164621417

IUPAC(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone
SMILESCOc1ccc2c(c1)nc1nc(C(=O)N3CC(N4CCOCC4)C3)ccn12
InChIInChI=1S/C19H21N5O3/c1-26-14-2-3-17-16(10-14)21-19-20-15(4-5-24(17)19)18(25)23-11-13(12-23)22-6-8-27-9-7-22/h2-5,10,13H,6-9,11-12H2,1H3
InChIKeyXOSAZRPZUQMPQC-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.05
Rot. Bonds3

About (8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone

(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone (PubChem CID 164621417) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone
PubChem CID164621417
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone
SMILESCOc1ccc2c(c1)nc1nc(C(=O)N3CC(N4CCOCC4)C3)ccn12
InChIInChI=1S/C19H21N5O3/c1-26-14-2-3-17-16(10-14)21-19-20-15(4-5-24(17)19)18(25)23-11-13(12-23)22-6-8-27-9-7-22/h2-5,10,13H,6-9,11-12H2,1H3
InChIKeyXOSAZRPZUQMPQC-UHFFFAOYSA-N
XLogP1.05
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617746
2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
CID 177185485
4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900508
8-methoxy-2-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177185533
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 97026691
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268
(2-ethylmorpholin-4-yl)-(6-methoxyquinolin-2-yl)methanone
CID 146085525
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
[1-(7-methoxy-4-methylquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354868
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 56749784
[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184633
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892330

Frequently Asked Questions

What is the IUPAC name of (8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone?
The IUPAC name of (8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone (CID 164621417) is (8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone.
What is the SMILES notation for (8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone?
The canonical SMILES for (8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone is COc1ccc2c(c1)nc1nc(C(=O)N3CC(N4CCOCC4)C3)ccn12.
What is the InChIKey of (8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone?
The InChIKey is XOSAZRPZUQMPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-26-14-2-3-17-16(10-14)21-19-20-15(4-5-24(17)19)18(25)23-11-13(12-23)22-6-8-27-9-7-22/h2-5,10,13H,6-9,11-12H2,1H3.
What are the key properties of (8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone?
(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone has a molecular weight of 367.41 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxypyrimido[1,2-a]benzimidazol-2-yl)-(3-morpholin-4-ylazetidin-1-yl)methanone is sourced from PubChem (CID 164621417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).