N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide

C23H21N3O4 — CID 1104079

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H21N3O4/c1-28-19-12-15(13-20(29-2)21(19)30-3)23(27)24-16-10-8-14(9-11-16)22-25-17-6-4-5-7-18(17)26-22/h4-13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyAIDJWZIOMBFHID-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.51
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 1104079) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID1104079
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H21N3O4/c1-28-19-12-15(13-20(29-2)21(19)30-3)23(27)24-16-10-8-14(9-11-16)22-25-17-6-4-5-7-18(17)26-22/h4-13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyAIDJWZIOMBFHID-UHFFFAOYSA-N
XLogP4.51
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sant-2
CID 1367095
3,4,5-trimethoxy-N-(1-methyl-1H-benzimidazol-5-yl)benzamide
CID 929513
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2032313
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
N-(3-{Imidazo[1,2-A]pyrimidin-2-YL}phenyl)-3,4,5-trimethoxybenzamide
CID 5304380
2-[3-methoxy-4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 9953922
2-(4-(3-Hydroxyphenoxy)phenyl)-1h-Benzo[d]imidazole-5-Carboxamide
CID 11371378
1-butyl-N-(2,3-dimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 45270738
N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide
CID 2583506
2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
CID 4962804
N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-benzimidazole-5-carbohydrazide
CID 9660657
3-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 16195313

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide (CID 1104079) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is AIDJWZIOMBFHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-28-19-12-15(13-20(29-2)21(19)30-3)23(27)24-16-10-8-14(9-11-16)22-25-17-6-4-5-7-18(17)26-22/h4-13H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 403.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1104079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).