2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one

C20H17N5O2 — CID 136851165

IUPAC2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
SMILESO=C(c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C20H17N5O2/c26-19-12-6-1-2-7-13(12)21-18(24-19)20(27)25-11-5-10-16(25)17-22-14-8-3-4-9-15(14)23-17/h1-4,6-9,16H,5,10-11H2,(H,22,23)(H,21,24,26)/t16-/m0/s1
InChIKeyMYOHKUNXPVCQJZ-INIZCTEOSA-N
MW359.39 g/mol
LogP2.78
Rot. Bonds2

About 2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one

2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one (PubChem CID 136851165) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
PubChem CID136851165
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
SMILESO=C(c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C20H17N5O2/c26-19-12-6-1-2-7-13(12)21-18(24-19)20(27)25-11-5-10-16(25)17-22-14-8-3-4-9-15(14)23-17/h1-4,6-9,16H,5,10-11H2,(H,22,23)(H,21,24,26)/t16-/m0/s1
InChIKeyMYOHKUNXPVCQJZ-INIZCTEOSA-N
XLogP2.78
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136664971
1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 119064094
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209357
2-[1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209673
3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 124879493
3-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 51269992
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 94485262
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 40921065

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one (CID 136851165) is 2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one is O=C(c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
The InChIKey is MYOHKUNXPVCQJZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-19-12-6-1-2-7-13(12)21-18(24-19)20(27)25-11-5-10-16(25)17-22-14-8-3-4-9-15(14)23-17/h1-4,6-9,16H,5,10-11H2,(H,22,23)(H,21,24,26)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one has a molecular weight of 359.39 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136851165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).