N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide

C25H22N4O3 — CID 67686907

IUPACN-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide
SMILESCOCCOc1ccc2nc(-c3ccc(C(=O)Nc4ccc5cc[nH]c5c4)cc3)[nH]c2c1
InChIInChI=1S/C25H22N4O3/c1-31-12-13-32-20-8-9-21-23(15-20)29-24(28-21)17-2-4-18(5-3-17)25(30)27-19-7-6-16-10-11-26-22(16)14-19/h2-11,14-15,26H,12-13H2,1H3,(H,27,30)(H,28,29)
InChIKeyPBXOAKBXBWWKPY-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.99
Rot. Bonds7

About N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide

N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide (PubChem CID 67686907) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide
PubChem CID67686907
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide
SMILESCOCCOc1ccc2nc(-c3ccc(C(=O)Nc4ccc5cc[nH]c5c4)cc3)[nH]c2c1
InChIInChI=1S/C25H22N4O3/c1-31-12-13-32-20-8-9-21-23(15-20)29-24(28-21)17-2-4-18(5-3-17)25(30)27-19-7-6-16-10-11-26-22(16)14-19/h2-11,14-15,26H,12-13H2,1H3,(H,27,30)(H,28,29)
InChIKeyPBXOAKBXBWWKPY-UHFFFAOYSA-N
XLogP4.99
TPSA92.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.99
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

methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate
CID 67687248
4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide
CID 67687298
N-(2,3-dihydro-1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide
CID 71040921
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide
CID 71009349
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
N-[4-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]phenyl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide
CID 58409034
4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide (CID 67686907) is N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide is COCCOc1ccc2nc(-c3ccc(C(=O)Nc4ccc5cc[nH]c5c4)cc3)[nH]c2c1.
What is the InChIKey of N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide?
The InChIKey is PBXOAKBXBWWKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-31-12-13-32-20-8-9-21-23(15-20)29-24(28-21)17-2-4-18(5-3-17)25(30)27-19-7-6-16-10-11-26-22(16)14-19/h2-11,14-15,26H,12-13H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide?
N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide has a molecular weight of 426.48 g/mol, XLogP of 4.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 67686907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).