3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide

C20H22Cl2N4O2 — CID 158964291

IUPAC3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide
SMILESNCCCCCn1c(Cc2cccc(C(=O)NO)c2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C20H22Cl2N4O2/c21-15-11-17-18(12-16(15)22)26(8-3-1-2-7-23)19(24-17)10-13-5-4-6-14(9-13)20(27)25-28/h4-6,9,11-12,28H,1-3,7-8,10,23H2,(H,25,27)
InChIKeyNHDBCKJTZBDQQO-UHFFFAOYSA-N
MW421.33 g/mol
LogP4.18
Rot. Bonds8

About 3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide

3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide (PubChem CID 158964291) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide
PubChem CID158964291
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide
SMILESNCCCCCn1c(Cc2cccc(C(=O)NO)c2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C20H22Cl2N4O2/c21-15-11-17-18(12-16(15)22)26(8-3-1-2-7-23)19(24-17)10-13-5-4-6-14(9-13)20(27)25-28/h4-6,9,11-12,28H,1-3,7-8,10,23H2,(H,25,27)
InChIKeyNHDBCKJTZBDQQO-UHFFFAOYSA-N
XLogP4.18
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5,6-dichloro-2-(2-methylpropyl)benzimidazol-1-yl]butan-1-amine
CID 94749196
3-(2-benzyl-5,6-dichlorobenzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 83284107
N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide
CID 11382208
3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 83287101
3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide
CID 161466464
4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 83289834
2-bromo-1-(2-methoxyethyl)benzimidazole;N-hydroxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide;methyl 3-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzoate
CID 157127485
2-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]ethyl carbamate
CID 83203162
methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate
CID 71813736
ethyl 1-[2-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate
CID 83287080
3-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 61400386
3-[(5-chloro-1-ethylbenzimidazol-2-yl)methyl]aniline
CID 65345508

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide (CID 158964291) is 3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide is NCCCCCn1c(Cc2cccc(C(=O)NO)c2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide?
The InChIKey is NHDBCKJTZBDQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O2/c21-15-11-17-18(12-16(15)22)26(8-3-1-2-7-23)19(24-17)10-13-5-4-6-14(9-13)20(27)25-28/h4-6,9,11-12,28H,1-3,7-8,10,23H2,(H,25,27).
What are the key properties of 3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide?
3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide has a molecular weight of 421.33 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-aminopentyl)-5,6-dichlorobenzimidazol-2-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 158964291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).