4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide

C22H23BrN4O — CID 15988572

IUPAC4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccc(Br)cc1
InChIInChI=1S/C22H23BrN4O/c1-4-26(5-2)21(28)19-14(3)24-22-25-17-8-6-7-9-18(17)27(22)20(19)15-10-12-16(23)13-11-15/h6-13,20H,4-5H2,1-3H3,(H,24,25)
InChIKeyCBXDYSKHIAMELZ-UHFFFAOYSA-N
MW439.36 g/mol
LogP4.96
Rot. Bonds4

About 4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide

4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide (PubChem CID 15988572) has the molecular formula C22H23BrN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
PubChem CID15988572
Molecular FormulaC22H23BrN4O
Molecular Weight439.36 g/mol
Exact Mass438.11
IUPAC Name4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccc(Br)cc1
InChIInChI=1S/C22H23BrN4O/c1-4-26(5-2)21(28)19-14(3)24-22-25-17-8-6-7-9-18(17)27(22)20(19)15-10-12-16(23)13-11-15/h6-13,20H,4-5H2,1-3H3,(H,24,25)
InChIKeyCBXDYSKHIAMELZ-UHFFFAOYSA-N
XLogP4.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide (CID 15988572) is 4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide is CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is CBXDYSKHIAMELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O/c1-4-26(5-2)21(28)19-14(3)24-22-25-17-8-6-7-9-18(17)27(22)20(19)15-10-12-16(23)13-11-15/h6-13,20H,4-5H2,1-3H3,(H,24,25).
What are the key properties of 4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 439.36 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 15988572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).