1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide

C24H28N6O3 — CID 10195108

IUPAC1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccnc1)n2CCC(N)=O)C1CCCCC1
InChIInChI=1S/C24H28N6O3/c1-29(18-7-3-2-4-8-18)23(33)16-9-10-20-19(14-16)27-24(30(20)13-11-21(25)31)28-22(32)17-6-5-12-26-15-17/h5-6,9-10,12,14-15,18H,2-4,7-8,11,13H2,1H3,(H2,25,31)(H,27,28,32)
InChIKeyCFPKBGQZSYJRNG-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.96
Rot. Bonds7

About 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide

1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 10195108) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide
PubChem CID10195108
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccnc1)n2CCC(N)=O)C1CCCCC1
InChIInChI=1S/C24H28N6O3/c1-29(18-7-3-2-4-8-18)23(33)16-9-10-20-19(14-16)27-24(30(20)13-11-21(25)31)28-22(32)17-6-5-12-26-15-17/h5-6,9-10,12,14-15,18H,2-4,7-8,11,13H2,1H3,(H2,25,31)(H,27,28,32)
InChIKeyCFPKBGQZSYJRNG-UHFFFAOYSA-N
XLogP2.96
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide (CID 10195108) is 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccnc1)n2CCC(N)=O)C1CCCCC1.
What is the InChIKey of 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is CFPKBGQZSYJRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-29(18-7-3-2-4-8-18)23(33)16-9-10-20-19(14-16)27-24(30(20)13-11-21(25)31)28-22(32)17-6-5-12-26-15-17/h5-6,9-10,12,14-15,18H,2-4,7-8,11,13H2,1H3,(H2,25,31)(H,27,28,32).
What are the key properties of 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide?
1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 10195108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).