3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide

C19H22N4O2 — CID 110499895

IUPAC3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1N
InChIInChI=1S/C19H22N4O2/c1-2-11-25-17-8-7-13(12-14(17)20)19(24)21-10-9-18-22-15-5-3-4-6-16(15)23-18/h3-8,12H,2,9-11,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyYPYNAQFBQDGSCE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.91
Rot. Bonds7

About 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide

3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide (PubChem CID 110499895) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide
PubChem CID110499895
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1N
InChIInChI=1S/C19H22N4O2/c1-2-11-25-17-8-7-13(12-14(17)20)19(24)21-10-9-18-22-15-5-3-4-6-16(15)23-18/h3-8,12H,2,9-11,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyYPYNAQFBQDGSCE-UHFFFAOYSA-N
XLogP2.91
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
CID 21008909
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide
CID 18207711
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide?
The IUPAC name of 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide (CID 110499895) is 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide.
What is the SMILES notation for 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide?
The canonical SMILES for 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1N.
What is the InChIKey of 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide?
The InChIKey is YPYNAQFBQDGSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-11-25-17-8-7-13(12-14(17)20)19(24)21-10-9-18-22-15-5-3-4-6-16(15)23-18/h3-8,12H,2,9-11,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide?
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide has a molecular weight of 338.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide is sourced from PubChem (CID 110499895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).