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

C20H17N5O2 — CID 136664971

IUPAC2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
SMILESO=C(c1nc2ccccc2c(=O)[nH]1)N1CCCC1c1nc2ccccc2[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)
InChIKeyMYOHKUNXPVCQJZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.78
Rot. Bonds2

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

2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one (PubChem CID 136664971) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
PubChem CID136664971
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
SMILESO=C(c1nc2ccccc2c(=O)[nH]1)N1CCCC1c1nc2ccccc2[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)
InChIKeyMYOHKUNXPVCQJZ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one (CID 136664971) is 2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one is O=C(c1nc2ccccc2c(=O)[nH]1)N1CCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
The InChIKey is MYOHKUNXPVCQJZ-UHFFFAOYSA-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).
What are the key properties of 2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one?
2-[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-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136664971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).