4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide

C24H21N5O3 — CID 67687298

IUPAC4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide
SMILESCOCCOc1ccc2nc(-c3ccc(C(=O)Nc4cc5[nH]ccc5cn4)cc3)[nH]c2c1
InChIInChI=1S/C24H21N5O3/c1-31-10-11-32-18-6-7-19-21(12-18)28-23(27-19)15-2-4-16(5-3-15)24(30)29-22-13-20-17(14-26-22)8-9-25-20/h2-9,12-14,25H,10-11H2,1H3,(H,27,28)(H,26,29,30)
InChIKeyCKSXAWXUQUCSTJ-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.38
Rot. Bonds7

About 4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide

4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide (PubChem CID 67687298) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide
PubChem CID67687298
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide
SMILESCOCCOc1ccc2nc(-c3ccc(C(=O)Nc4cc5[nH]ccc5cn4)cc3)[nH]c2c1
InChIInChI=1S/C24H21N5O3/c1-31-10-11-32-18-6-7-19-21(12-18)28-23(27-19)15-2-4-16(5-3-15)24(30)29-22-13-20-17(14-26-22)8-9-25-20/h2-9,12-14,25H,10-11H2,1H3,(H,27,28)(H,26,29,30)
InChIKeyCKSXAWXUQUCSTJ-UHFFFAOYSA-N
XLogP4.38
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide
CID 67686907
methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate
CID 67687248
N-(2,3-dihydro-1H-indol-6-yl)-4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]benzamide
CID 71040921
methyl 2-(4-propoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902829
N-[4-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]phenyl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide
CID 58409034
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide
CID 71009349
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 59530548

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide?
The IUPAC name of 4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide (CID 67687298) is 4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide.
What is the SMILES notation for 4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide?
The canonical SMILES for 4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide is COCCOc1ccc2nc(-c3ccc(C(=O)Nc4cc5[nH]ccc5cn4)cc3)[nH]c2c1.
What is the InChIKey of 4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide?
The InChIKey is CKSXAWXUQUCSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-31-10-11-32-18-6-7-19-21(12-18)28-23(27-19)15-2-4-16(5-3-15)24(30)29-22-13-20-17(14-26-22)8-9-25-20/h2-9,12-14,25H,10-11H2,1H3,(H,27,28)(H,26,29,30).
What are the key properties of 4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide?
4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide has a molecular weight of 427.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide is sourced from PubChem (CID 67687298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).