N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide

C24H28ClN5O3 — CID 58742769

IUPACN-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide
SMILESNC(=O)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CN(O)C3CCCCC3)ccc21
InChIInChI=1S/C24H28ClN5O3/c25-18-9-7-17(8-10-18)23(32)28-24-27-20-14-16(15-30(33)19-4-2-1-3-5-19)6-11-21(20)29(24)13-12-22(26)31/h6-11,14,19,33H,1-5,12-13,15H2,(H2,26,31)(H,27,28,32)
InChIKeyAHZFNGPXFFALRH-UHFFFAOYSA-N
MW469.97 g/mol
LogP4.34
Rot. Bonds8

About N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide

N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide (PubChem CID 58742769) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide
PubChem CID58742769
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide
SMILESNC(=O)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CN(O)C3CCCCC3)ccc21
InChIInChI=1S/C24H28ClN5O3/c25-18-9-7-17(8-10-18)23(32)28-24-27-20-14-16(15-30(33)19-4-2-1-3-5-19)6-11-21(20)29(24)13-12-22(26)31/h6-11,14,19,33H,1-5,12-13,15H2,(H2,26,31)(H,27,28,32)
InChIKeyAHZFNGPXFFALRH-UHFFFAOYSA-N
XLogP4.34
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-cyclohexyl-N-methyl-1-(3-oxobutyl)benzimidazole-5-carboxamide
CID 59083099
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-4-methylbenzamide
CID 44588794
[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium
CID 59083093
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]pyridine-4-carboxamide
CID 44588740
N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(methyl)amino]methyl]benzimidazol-2-yl]thiophene-2-carboxamide;4-chloro-N-[5-[[cyclohexyl(methyl)amino]methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide;3-[2-[(4-cyanobenzoyl)amino]-5-[[cyclohexyl(methyl)amino]methyl]benzimidazol-1-yl]propyl acetate;4-cyano-N-[5-[[cyclohexyl(methyl)amino]methyl]-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-cyano-N-[5-[[cyclohexyl(methyl)amino]methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[[cyclohexyl(methyl)amino]methyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]benzamide
CID 161147403
4-chloro-N-[5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]benzamide;hydrochloride
CID 90045212
2-benzamido-N-cyclohexyl-1-(3-oxobutyl)-N-prop-2-enylbenzimidazole-5-carboxamide
CID 59083118
1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid
CID 159567057
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
CID 44588719
4-cyano-N-[5-[(cyclohexylamino)methyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide
CID 58742754
4-cyano-N-[5-[[cyclopentylmethyl(methyl)amino]methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
CID 44589642
N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide
CID 44588584

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide (CID 58742769) is N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide is NC(=O)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CN(O)C3CCCCC3)ccc21.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide?
The InChIKey is AHZFNGPXFFALRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c25-18-9-7-17(8-10-18)23(32)28-24-27-20-14-16(15-30(33)19-4-2-1-3-5-19)6-11-21(20)29(24)13-12-22(26)31/h6-11,14,19,33H,1-5,12-13,15H2,(H2,26,31)(H,27,28,32).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide?
N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide has a molecular weight of 469.97 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-5-[[cyclohexyl(hydroxy)amino]methyl]benzimidazol-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 58742769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).