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

C26H29N5O2 — CID 667060

IUPACN-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5ccco5)ccc4n3C)CC2)cc1
InChIInChI=1S/C26H29N5O2/c1-19-5-8-21(9-6-19)31-15-13-30(14-16-31)12-11-25-28-22-18-20(7-10-23(22)29(25)2)27-26(32)24-4-3-17-33-24/h3-10,17-18H,11-16H2,1-2H3,(H,27,32)
InChIKeyNILACXQOPZTKMT-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.09
Rot. Bonds6

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

N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide (PubChem CID 667060) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide
PubChem CID667060
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5ccco5)ccc4n3C)CC2)cc1
InChIInChI=1S/C26H29N5O2/c1-19-5-8-21(9-6-19)31-15-13-30(14-16-31)12-11-25-28-22-18-20(7-10-23(22)29(25)2)27-26(32)24-4-3-17-33-24/h3-10,17-18H,11-16H2,1-2H3,(H,27,32)
InChIKeyNILACXQOPZTKMT-UHFFFAOYSA-N
XLogP4.09
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide (CID 667060) is N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide is Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5ccco5)ccc4n3C)CC2)cc1.
What is the InChIKey of N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide?
The InChIKey is NILACXQOPZTKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-19-5-8-21(9-6-19)31-15-13-30(14-16-31)12-11-25-28-22-18-20(7-10-23(22)29(25)2)27-26(32)24-4-3-17-33-24/h3-10,17-18H,11-16H2,1-2H3,(H,27,32).
What are the key properties of N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide?
N-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.09, 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-(4-methylphenyl)piperazin-1-yl]ethyl]benzimidazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 667060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).