N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide

C17H16ClN3O4 — CID 84580880

IUPACN-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(Cl)[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C17H16ClN3O4/c1-23-13-6-9(7-14(24-2)15(13)25-3)16(22)19-10-4-5-11-12(8-10)21-17(18)20-11/h4-8H,1-3H3,(H,19,22)(H,20,21)
InChIKeyTZONEPXGEYBZBX-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.49
Rot. Bonds5

About N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide

N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide (PubChem CID 84580880) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide
PubChem CID84580880
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC NameN-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(Cl)[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C17H16ClN3O4/c1-23-13-6-9(7-14(24-2)15(13)25-3)16(22)19-10-4-5-11-12(8-10)21-17(18)20-11/h4-8H,1-3H3,(H,19,22)(H,20,21)
InChIKeyTZONEPXGEYBZBX-UHFFFAOYSA-N
XLogP3.49
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide
CID 84579347
N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
3,4-dichloro-N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84580791
N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide
CID 84582445
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 20694954
N-(2-chloro-3H-benzimidazol-5-yl)-2-methoxyacetamide
CID 84581757
N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide
CID 56690013
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
N-[2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 20694910
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide (CID 84580880) is N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3nc(Cl)[nH]c3c2)cc(OC)c1OC.
What is the InChIKey of N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is TZONEPXGEYBZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-23-13-6-9(7-14(24-2)15(13)25-3)16(22)19-10-4-5-11-12(8-10)21-17(18)20-11/h4-8H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide?
N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 361.79 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 84580880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).