(2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone

C16H17N5O2 — CID 110132375

IUPAC(2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCOCC3c3ccn[nH]3)cc2[nH]1
InChIInChI=1S/C16H17N5O2/c1-10-18-12-3-2-11(8-14(12)19-10)16(22)21-6-7-23-9-15(21)13-4-5-17-20-13/h2-5,8,15H,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyQETXUJOZOYSZQE-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.81
Rot. Bonds2

About (2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone

(2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 110132375) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is (2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
PubChem CID110132375
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name(2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCOCC3c3ccn[nH]3)cc2[nH]1
InChIInChI=1S/C16H17N5O2/c1-10-18-12-3-2-11(8-14(12)19-10)16(22)21-6-7-23-9-15(21)13-4-5-17-20-13/h2-5,8,15H,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyQETXUJOZOYSZQE-UHFFFAOYSA-N
XLogP1.81
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124959074
[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124982330
[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124955150
(3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124976007
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599
[4-[(dimethylamino)methyl]phenyl]-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125002959
(6-methoxy-3-pyridinyl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125008509
(1-methylpyrrol-2-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125019638
(2-cyclopropylpyrimidin-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114756
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124981377
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92637289
(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124962888

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone (CID 110132375) is (2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone is Cc1nc2ccc(C(=O)N3CCOCC3c3ccn[nH]3)cc2[nH]1.
What is the InChIKey of (2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is QETXUJOZOYSZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-18-12-3-2-11(8-14(12)19-10)16(22)21-6-7-23-9-15(21)13-4-5-17-20-13/h2-5,8,15H,6-7,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of (2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
(2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 311.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 110132375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).