N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide

C19H19F3N4O2 — CID 21101100

IUPACN-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
SMILESCOc1cc(C(=O)NCCCN)ccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C19H19F3N4O2/c1-28-16-9-11(18(27)24-8-2-7-23)3-5-13(16)17-25-14-6-4-12(19(20,21)22)10-15(14)26-17/h3-6,9-10H,2,7-8,23H2,1H3,(H,24,27)(H,25,26)
InChIKeyBYDZHYOKEIAUEW-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.34
Rot. Bonds6

About N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide

N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide (PubChem CID 21101100) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
PubChem CID21101100
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
SMILESCOc1cc(C(=O)NCCCN)ccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C19H19F3N4O2/c1-28-16-9-11(18(27)24-8-2-7-23)3-5-13(16)17-25-14-6-4-12(19(20,21)22)10-15(14)26-17/h3-6,9-10H,2,7-8,23H2,1H3,(H,24,27)(H,25,26)
InChIKeyBYDZHYOKEIAUEW-UHFFFAOYSA-N
XLogP3.34
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.34
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

N-[3-(diethylamino)propyl]-3-ethoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 21101104
3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 21101111
N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731266
N-(3-aminopropyl)-2-[4-[6-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 156663986
N-(3-aminopropyl)-4-(1H-benzo[f]benzimidazol-2-yl)-3-bromobenzamide
CID 21100790
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 4915116
5-methoxy-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 46886471
1-[2-[2-fluoro-4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158420839
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
N-(3-aminopropyl)-3-fluoro-4-(4-hydroxy-1H-benzimidazol-2-yl)benzamide
CID 21101134
2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol
CID 135616944

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide (CID 21101100) is N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide is COc1cc(C(=O)NCCCN)ccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
The InChIKey is BYDZHYOKEIAUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-28-16-9-11(18(27)24-8-2-7-23)3-5-13(16)17-25-14-6-4-12(19(20,21)22)10-15(14)26-17/h3-6,9-10H,2,7-8,23H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 21101100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).