2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine

C16H11N7 — CID 141166589

IUPAC2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine
SMILESc1ccc2[nH]c(-c3cnc(-c4cn5cccnc5n4)[nH]3)nc2c1
InChIInChI=1S/C16H11N7/c1-2-5-11-10(4-1)19-15(20-11)12-8-18-14(21-12)13-9-23-7-3-6-17-16(23)22-13/h1-9H,(H,18,21)(H,19,20)
InChIKeyDMXDFLBDOVUSDQ-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.66
Rot. Bonds2

About 2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine

2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine (PubChem CID 141166589) has the molecular formula C16H11N7 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine
PubChem CID141166589
Molecular FormulaC16H11N7
Molecular Weight301.31 g/mol
Exact Mass301.11
IUPAC Name2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine
SMILESc1ccc2[nH]c(-c3cnc(-c4cn5cccnc5n4)[nH]3)nc2c1
InChIInChI=1S/C16H11N7/c1-2-5-11-10(4-1)19-15(20-11)12-8-18-14(21-12)13-9-23-7-3-6-17-16(23)22-13/h1-9H,(H,18,21)(H,19,20)
InChIKeyDMXDFLBDOVUSDQ-UHFFFAOYSA-N
XLogP2.66
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
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2-imidazo[1,2-a]pyridin-7-yl-1H-benzimidazole
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CID 173061121
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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine (CID 141166589) is 2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine is c1ccc2[nH]c(-c3cnc(-c4cn5cccnc5n4)[nH]3)nc2c1.
What is the InChIKey of 2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is DMXDFLBDOVUSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7/c1-2-5-11-10(4-1)19-15(20-11)12-8-18-14(21-12)13-9-23-7-3-6-17-16(23)22-13/h1-9H,(H,18,21)(H,19,20).
What are the key properties of 2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine?
2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 301.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 141166589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).