N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide

C19H21N3O2 — CID 51222006

IUPACN-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCCCn2cnc3ccccc32)c1
InChIInChI=1S/C19H21N3O2/c1-24-13-15-6-4-7-16(12-15)19(23)20-10-5-11-22-14-21-17-8-2-3-9-18(17)22/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,20,23)
InChIKeyBSXJQQZPLYWPAR-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.00
Rot. Bonds7

About N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide

N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide (PubChem CID 51222006) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide
PubChem CID51222006
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCCCn2cnc3ccccc32)c1
InChIInChI=1S/C19H21N3O2/c1-24-13-15-6-4-7-16(12-15)19(23)20-10-5-11-22-14-21-17-8-2-3-9-18(17)22/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,20,23)
InChIKeyBSXJQQZPLYWPAR-UHFFFAOYSA-N
XLogP3.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-3-bromo-4-methoxybenzamide
CID 40718918
N-[3-(benzimidazol-1-yl)propyl]-4-methylsulfonylbenzamide
CID 51221971
N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
CID 51221897
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528
4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
CID 17486518
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602
3-(methoxymethyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39540479
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide
CID 51277131
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide (CID 51222006) is N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NCCCn2cnc3ccccc32)c1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide?
The InChIKey is BSXJQQZPLYWPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-24-13-15-6-4-7-16(12-15)19(23)20-10-5-11-22-14-21-17-8-2-3-9-18(17)22/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,20,23).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide?
N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 51222006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).