N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine

C24H22N6 — CID 55941683

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESCC(C)[C@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H22N6/c1-15(2)21(24-27-19-9-5-6-10-20(19)28-24)29-23-17-7-3-4-8-18(17)26-22(30-23)16-11-13-25-14-12-16/h3-15,21H,1-2H3,(H,27,28)(H,26,29,30)/t21-/m0/s1
InChIKeyNIZXQDRSVBELJN-NRFANRHFSA-N
MW394.48 g/mol
LogP5.38
Rot. Bonds5

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 55941683) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine
PubChem CID55941683
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine
SMILESCC(C)[C@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H22N6/c1-15(2)21(24-27-19-9-5-6-10-20(19)28-24)29-23-17-7-3-4-8-18(17)26-22(30-23)16-11-13-25-14-12-16/h3-15,21H,1-2H3,(H,27,28)(H,26,29,30)/t21-/m0/s1
InChIKeyNIZXQDRSVBELJN-NRFANRHFSA-N
XLogP5.38
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine (CID 55941683) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine is CC(C)[C@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is NIZXQDRSVBELJN-NRFANRHFSA-N. The full InChI is InChI=1S/C24H22N6/c1-15(2)21(24-27-19-9-5-6-10-20(19)28-24)29-23-17-7-3-4-8-18(17)26-22(30-23)16-11-13-25-14-12-16/h3-15,21H,1-2H3,(H,27,28)(H,26,29,30)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 394.48 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 55941683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).