N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide

C18H17ClN4O3 — CID 108540850

IUPACN-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H17ClN4O3/c1-26-16-5-3-12(19)9-13(16)18(25)21-7-6-20-17(24)11-2-4-14-15(8-11)23-10-22-14/h2-5,8-10H,6-7H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyVMLCWIJNPMMFGQ-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.38
Rot. Bonds6

About N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide

N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 108540850) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID108540850
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H17ClN4O3/c1-26-16-5-3-12(19)9-13(16)18(25)21-7-6-20-17(24)11-2-4-14-15(8-11)23-10-22-14/h2-5,8-10H,6-7H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyVMLCWIJNPMMFGQ-UHFFFAOYSA-N
XLogP2.38
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 146025489
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795807
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795781
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108573390
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110793668
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794398

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide (CID 108540850) is N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide is COc1ccc(Cl)cc1C(=O)NCCNC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is VMLCWIJNPMMFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-26-16-5-3-12(19)9-13(16)18(25)21-7-6-20-17(24)11-2-4-14-15(8-11)23-10-22-14/h2-5,8-10H,6-7H2,1H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 108540850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).