(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone

C23H26N6O3 — CID 92637289

IUPAC(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCC[C@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)cc2[nH]1
InChIInChI=1S/C23H26N6O3/c1-14-17(23(31)28-8-10-32-11-9-28)13-24-21(25-14)20-4-3-7-29(20)22(30)16-5-6-18-19(12-16)27-15(2)26-18/h5-6,12-13,20H,3-4,7-11H2,1-2H3,(H,26,27)/t20-/m0/s1
InChIKeyVTKDSTFGBHYMNS-FQEVSTJZSA-N
MW434.50 g/mol
LogP2.42
Rot. Bonds3

About (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone

(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 92637289) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID92637289
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCC[C@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)cc2[nH]1
InChIInChI=1S/C23H26N6O3/c1-14-17(23(31)28-8-10-32-11-9-28)13-24-21(25-14)20-4-3-7-29(20)22(30)16-5-6-18-19(12-16)27-15(2)26-18/h5-6,12-13,20H,3-4,7-11H2,1-2H3,(H,26,27)/t20-/m0/s1
InChIKeyVTKDSTFGBHYMNS-FQEVSTJZSA-N
XLogP2.42
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92623249
(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92636277
[4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110247617
[4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110247915
2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92637294
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124941822
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95894350
(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124959074
(2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110132375
(2-methyl-3H-benzimidazol-5-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70740975
(2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 127244608
2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110248981

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone (CID 92637289) is (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone is Cc1nc2ccc(C(=O)N3CCC[C@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)cc2[nH]1.
What is the InChIKey of (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is VTKDSTFGBHYMNS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-14-17(23(31)28-8-10-32-11-9-28)13-24-21(25-14)20-4-3-7-29(20)22(30)16-5-6-18-19(12-16)27-15(2)26-18/h5-6,12-13,20H,3-4,7-11H2,1-2H3,(H,26,27)/t20-/m0/s1.
What are the key properties of (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 434.50 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92637289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).