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

C23H28FN3O2 — CID 18734011

IUPACN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide
SMILESCCCn1c(CN(CC(C)C)C(=O)c2cccc(OC)c2)nc2ccc(F)cc21
InChIInChI=1S/C23H28FN3O2/c1-5-11-27-21-13-18(24)9-10-20(21)25-22(27)15-26(14-16(2)3)23(28)17-7-6-8-19(12-17)29-4/h6-10,12-13,16H,5,11,14-15H2,1-4H3
InChIKeyXBJNWKKQJZVGRW-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.89
Rot. Bonds8

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

N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 18734011) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide
PubChem CID18734011
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide
SMILESCCCn1c(CN(CC(C)C)C(=O)c2cccc(OC)c2)nc2ccc(F)cc21
InChIInChI=1S/C23H28FN3O2/c1-5-11-27-21-13-18(24)9-10-20(21)25-22(27)15-26(14-16(2)3)23(28)17-7-6-8-19(12-17)29-4/h6-10,12-13,16H,5,11,14-15H2,1-4H3
InChIKeyXBJNWKKQJZVGRW-UHFFFAOYSA-N
XLogP4.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.89
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-(2-methylpropyl)benzamide?
The IUPAC name of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide (CID 18734011) is N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide is CCCn1c(CN(CC(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-(2-methylpropyl)benzamide?
The InChIKey is XBJNWKKQJZVGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-5-11-27-21-13-18(24)9-10-20(21)25-22(27)15-26(14-16(2)3)23(28)17-7-6-8-19(12-17)29-4/h6-10,12-13,16H,5,11,14-15H2,1-4H3.
What are the key properties of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide?
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 397.49 g/mol, XLogP of 4.89, 8 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-(2-methylpropyl)benzamide is sourced from PubChem (CID 18734011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).