N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide

C24H30FN3O2 — CID 18734027

IUPACN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide
SMILESCCCn1c(CN(CCC(C)C)C(=O)c2cccc(OC)c2)nc2ccc(F)cc21
InChIInChI=1S/C24H30FN3O2/c1-5-12-28-22-15-19(25)9-10-21(22)26-23(28)16-27(13-11-17(2)3)24(29)18-7-6-8-20(14-18)30-4/h6-10,14-15,17H,5,11-13,16H2,1-4H3
InChIKeyNYAUBAYWVSEQMS-UHFFFAOYSA-N
MW411.52 g/mol
LogP5.28
Rot. Bonds9

About N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide

N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide (PubChem CID 18734027) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide
PubChem CID18734027
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC NameN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide
SMILESCCCn1c(CN(CCC(C)C)C(=O)c2cccc(OC)c2)nc2ccc(F)cc21
InChIInChI=1S/C24H30FN3O2/c1-5-12-28-22-15-19(25)9-10-21(22)26-23(28)16-27(13-11-17(2)3)24(29)18-7-6-8-20(14-18)30-4/h6-10,14-15,17H,5,11-13,16H2,1-4H3
InChIKeyNYAUBAYWVSEQMS-UHFFFAOYSA-N
XLogP5.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.52
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Metodesnitazene
CID 26412
Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
CID 1511
Mchb-1
CID 44561533
[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl][1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]methanone
CID 10917690
N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 134369559
N,N-diisopentyl-2-(4-methoxybenzoyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432966
1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281
[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
N-Cycloheptyl-1-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 4287729
2-(4-ethoxybenzyl)-1-(cyclopentylmethyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
CID 24863434

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide (CID 18734027) is N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide is CCCn1c(CN(CCC(C)C)C(=O)c2cccc(OC)c2)nc2ccc(F)cc21.
What is the InChIKey of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide?
The InChIKey is NYAUBAYWVSEQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-5-12-28-22-15-19(25)9-10-21(22)26-23(28)16-27(13-11-17(2)3)24(29)18-7-6-8-20(14-18)30-4/h6-10,14-15,17H,5,11-13,16H2,1-4H3.
What are the key properties of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide?
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide has a molecular weight of 411.52 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 18734027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).