4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

C16H15N5 — CID 71019589

IUPAC4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)n1cnc2cccc(-c3ncnc4[nH]ccc34)c21
InChIInChI=1S/C16H15N5/c1-10(2)21-9-20-13-5-3-4-11(15(13)21)14-12-6-7-17-16(12)19-8-18-14/h3-10H,1-2H3,(H,17,18,19)
InChIKeyMMSSNWAIAWCLLA-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.56
Rot. Bonds2

About 4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 71019589) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID71019589
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(C)n1cnc2cccc(-c3ncnc4[nH]ccc34)c21
InChIInChI=1S/C16H15N5/c1-10(2)21-9-20-13-5-3-4-11(15(13)21)14-12-6-7-17-16(12)19-8-18-14/h3-10H,1-2H3,(H,17,18,19)
InChIKeyMMSSNWAIAWCLLA-UHFFFAOYSA-N
XLogP3.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 71019589) is 4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine is CC(C)n1cnc2cccc(-c3ncnc4[nH]ccc34)c21.
What is the InChIKey of 4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is MMSSNWAIAWCLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-10(2)21-9-20-13-5-3-4-11(15(13)21)14-12-6-7-17-16(12)19-8-18-14/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 277.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylbenzimidazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 71019589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).