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

C17H19N5O2 — CID 124959074

IUPAC(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCc1cnc([C@@H]2COCCN2C(=O)c2ccc3nc(C)[nH]c3c2)[nH]1
InChIInChI=1S/C17H19N5O2/c1-10-8-18-16(19-10)15-9-24-6-5-22(15)17(23)12-3-4-13-14(7-12)21-11(2)20-13/h3-4,7-8,15H,5-6,9H2,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyGKPGVDHINDAGNV-HNNXBMFYSA-N
MW325.37 g/mol
LogP2.12
Rot. Bonds2

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

(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (PubChem CID 124959074) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
PubChem CID124959074
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCc1cnc([C@@H]2COCCN2C(=O)c2ccc3nc(C)[nH]c3c2)[nH]1
InChIInChI=1S/C17H19N5O2/c1-10-8-18-16(19-10)15-9-24-6-5-22(15)17(23)12-3-4-13-14(7-12)21-11(2)20-13/h3-4,7-8,15H,5-6,9H2,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyGKPGVDHINDAGNV-HNNXBMFYSA-N
XLogP2.12
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 124996414
(2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110132375
(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105547
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105429
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 110105457
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105506
(2-methyl-3H-benzimidazol-5-yl)-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92623249
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 110105482
6-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 125005017
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
(5-methylimidazo[1,2-a]pyridin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105498

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (CID 124959074) is (2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is Cc1cnc([C@@H]2COCCN2C(=O)c2ccc3nc(C)[nH]c3c2)[nH]1.
What is the InChIKey of (2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is GKPGVDHINDAGNV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-8-18-16(19-10)15-9-24-6-5-22(15)17(23)12-3-4-13-14(7-12)21-11(2)20-13/h3-4,7-8,15H,5-6,9H2,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1.
What are the key properties of (2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 325.37 g/mol, XLogP of 2.12, 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)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124959074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).