2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole

C21H21N5 — CID 652797

IUPAC2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole
SMILESCc1cc(N2CCN(c3ccccc3)CC2)n2c(n1)nc1ccccc12
InChIInChI=1S/C21H21N5/c1-16-15-20(26-19-10-6-5-9-18(19)23-21(26)22-16)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3
InChIKeyHTCPBBRVQOJGGP-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.52
Rot. Bonds2

About 2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole

2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole (PubChem CID 652797) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole
PubChem CID652797
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole
SMILESCc1cc(N2CCN(c3ccccc3)CC2)n2c(n1)nc1ccccc12
InChIInChI=1S/C21H21N5/c1-16-15-20(26-19-10-6-5-9-18(19)23-21(26)22-16)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3
InChIKeyHTCPBBRVQOJGGP-UHFFFAOYSA-N
XLogP3.52
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole (CID 652797) is 2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole is Cc1cc(N2CCN(c3ccccc3)CC2)n2c(n1)nc1ccccc12.
What is the InChIKey of 2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole?
The InChIKey is HTCPBBRVQOJGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-16-15-20(26-19-10-6-5-9-18(19)23-21(26)22-16)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3.
What are the key properties of 2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole?
2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole has a molecular weight of 343.43 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenylpiperazin-1-yl)pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 652797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).