2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide

C17H18N4O2 — CID 177372410

IUPAC2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide
SMILESCCn1c(CNc2ccccc2)nc2cc(C(=O)NO)ccc21
InChIInChI=1S/C17H18N4O2/c1-2-21-15-9-8-12(17(22)20-23)10-14(15)19-16(21)11-18-13-6-4-3-5-7-13/h3-10,18,23H,2,11H2,1H3,(H,20,22)
InChIKeyLIPZHNMYVJWAIY-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.79
Rot. Bonds5

About 2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide

2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide (PubChem CID 177372410) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide
PubChem CID177372410
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide
SMILESCCn1c(CNc2ccccc2)nc2cc(C(=O)NO)ccc21
InChIInChI=1S/C17H18N4O2/c1-2-21-15-9-8-12(17(22)20-23)10-14(15)19-16(21)11-18-13-6-4-3-5-7-13/h3-10,18,23H,2,11H2,1H3,(H,20,22)
InChIKeyLIPZHNMYVJWAIY-UHFFFAOYSA-N
XLogP2.79
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide
CID 177372418
3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 61020848
4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol
CID 60836347
2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide
CID 177372430
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline
CID 60837375
N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide
CID 11382208
N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 14456529
N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide
CID 142860950
methyl 1,2-diethylbenzimidazole-5-carboxylate
CID 167201887
2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866
N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide
CID 129309588

Frequently Asked Questions

What is the IUPAC name of 2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide?
The IUPAC name of 2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide (CID 177372410) is 2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide.
What is the SMILES notation for 2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide?
The canonical SMILES for 2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide is CCn1c(CNc2ccccc2)nc2cc(C(=O)NO)ccc21.
What is the InChIKey of 2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide?
The InChIKey is LIPZHNMYVJWAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-21-15-9-8-12(17(22)20-23)10-14(15)19-16(21)11-18-13-6-4-3-5-7-13/h3-10,18,23H,2,11H2,1H3,(H,20,22).
What are the key properties of 2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide?
2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide is sourced from PubChem (CID 177372410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).