N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide

C20H23N3O3 — CID 18207711

IUPACN-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1OCCC
InChIInChI=1S/C20H23N3O3/c1-3-11-25-17-10-9-14(13-18(17)26-12-4-2)19(24)23-20-21-15-7-5-6-8-16(15)22-20/h5-10,13H,3-4,11-12H2,1-2H3,(H2,21,22,23,24)
InChIKeyNWEORADBJYNKCM-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.39
Rot. Bonds8

About N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide

N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide (PubChem CID 18207711) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide
PubChem CID18207711
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1OCCC
InChIInChI=1S/C20H23N3O3/c1-3-11-25-17-10-9-14(13-18(17)26-12-4-2)19(24)23-20-21-15-7-5-6-8-16(15)22-20/h5-10,13H,3-4,11-12H2,1-2H3,(H2,21,22,23,24)
InChIKeyNWEORADBJYNKCM-UHFFFAOYSA-N
XLogP4.39
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27649712
N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide
CID 24505737
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide
CID 110499895
N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide
CID 57099013
N-(1H-benzimidazol-2-yl)-3-cyanobenzamide
CID 2635761
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 63565075
3-amino-N-(1H-benzimidazol-2-yl)benzamide
CID 62060005
N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide
CID 17429705
4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 115730029
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 167880656
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide (CID 18207711) is N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide is CCCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1OCCC.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide?
The InChIKey is NWEORADBJYNKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-11-25-17-10-9-14(13-18(17)26-12-4-2)19(24)23-20-21-15-7-5-6-8-16(15)22-20/h5-10,13H,3-4,11-12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide?
N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide has a molecular weight of 353.42 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide is sourced from PubChem (CID 18207711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).