N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide

C25H29N5O3 — CID 44588741

IUPACN-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O
InChIInChI=1S/C25H29N5O3/c1-29(24(33)18-10-6-3-7-11-18)19-12-13-21-20(16-19)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2,4-5,8-9,12-13,16,18H,3,6-7,10-11,14-15H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeySISCSFVXUVITFJ-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.71
Rot. Bonds7

About N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide

N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide (PubChem CID 44588741) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide
PubChem CID44588741
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O
InChIInChI=1S/C25H29N5O3/c1-29(24(33)18-10-6-3-7-11-18)19-12-13-21-20(16-19)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2,4-5,8-9,12-13,16,18H,3,6-7,10-11,14-15H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeySISCSFVXUVITFJ-UHFFFAOYSA-N
XLogP3.71
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide (CID 44588741) is N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide is CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide?
The InChIKey is SISCSFVXUVITFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-29(24(33)18-10-6-3-7-11-18)19-12-13-21-20(16-19)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2,4-5,8-9,12-13,16,18H,3,6-7,10-11,14-15H2,1H3,(H2,26,31)(H,27,28,32).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide?
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 44588741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).