4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide

C26H30N6O4 — CID 44588879

IUPAC4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C(N)=O)cc1)n2CCC(N)=O
InChIInChI=1S/C26H30N6O4/c1-31(25(36)18-5-3-2-4-6-18)19-11-12-21-20(15-19)29-26(32(21)14-13-22(27)33)30-24(35)17-9-7-16(8-10-17)23(28)34/h7-12,15,18H,2-6,13-14H2,1H3,(H2,27,33)(H2,28,34)(H,29,30,35)
InChIKeyIVFBEAZQIOBADG-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.81
Rot. Bonds8

About 4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide

4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide (PubChem CID 44588879) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide
PubChem CID44588879
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C(N)=O)cc1)n2CCC(N)=O
InChIInChI=1S/C26H30N6O4/c1-31(25(36)18-5-3-2-4-6-18)19-11-12-21-20(15-19)29-26(32(21)14-13-22(27)33)30-24(35)17-9-7-16(8-10-17)23(28)34/h7-12,15,18H,2-6,13-14H2,1H3,(H2,27,33)(H2,28,34)(H,29,30,35)
InChIKeyIVFBEAZQIOBADG-UHFFFAOYSA-N
XLogP2.81
TPSA153.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide (CID 44588879) is 4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide is CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C(N)=O)cc1)n2CCC(N)=O.
What is the InChIKey of 4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide?
The InChIKey is IVFBEAZQIOBADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-31(25(36)18-5-3-2-4-6-18)19-11-12-21-20(15-19)29-26(32(21)14-13-22(27)33)30-24(35)17-9-7-16(8-10-17)23(28)34/h7-12,15,18H,2-6,13-14H2,1H3,(H2,27,33)(H2,28,34)(H,29,30,35).
What are the key properties of 4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide?
4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide has a molecular weight of 490.56 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 44588879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).