N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide

C25H27N5O2 — CID 666259

IUPACN-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide
SMILESCn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21
InChIInChI=1S/C25H27N5O2/c1-28-22-10-9-19(26-25(31)23-8-5-17-32-23)18-21(22)27-24(28)11-12-29-13-15-30(16-14-29)20-6-3-2-4-7-20/h2-10,17-18H,11-16H2,1H3,(H,26,31)
InChIKeyCKQYQAZAMQUMRT-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.78
Rot. Bonds6

About N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide

N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide (PubChem CID 666259) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide
PubChem CID666259
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide
SMILESCn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21
InChIInChI=1S/C25H27N5O2/c1-28-22-10-9-19(26-25(31)23-8-5-17-32-23)18-21(22)27-24(28)11-12-29-13-15-30(16-14-29)20-6-3-2-4-7-20/h2-10,17-18H,11-16H2,1H3,(H,26,31)
InChIKeyCKQYQAZAMQUMRT-UHFFFAOYSA-N
XLogP3.78
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide (CID 666259) is N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide is Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21.
What is the InChIKey of N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide?
The InChIKey is CKQYQAZAMQUMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-28-22-10-9-19(26-25(31)23-8-5-17-32-23)18-21(22)27-24(28)11-12-29-13-15-30(16-14-29)20-6-3-2-4-7-20/h2-10,17-18H,11-16H2,1H3,(H,26,31).
What are the key properties of N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide?
N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 666259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).