N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide

C18H17F2N3O3 — CID 55380895

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)ccc1OC(F)F
InChIInChI=1S/C18H17F2N3O3/c1-10(16-22-12-5-3-4-6-13(12)23-16)21-17(24)11-7-8-14(26-18(19)20)15(9-11)25-2/h3-10,18H,1-2H3,(H,21,24)(H,22,23)
InChIKeyFOSMDNVKCLVDRM-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.66
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 55380895) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID55380895
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)ccc1OC(F)F
InChIInChI=1S/C18H17F2N3O3/c1-10(16-22-12-5-3-4-6-13(12)23-16)21-17(24)11-7-8-14(26-18(19)20)15(9-11)25-2/h3-10,18H,1-2H3,(H,21,24)(H,22,23)
InChIKeyFOSMDNVKCLVDRM-UHFFFAOYSA-N
XLogP3.66
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759959
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 55380856
N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 51143916
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18116503
2-(difluoromethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561224
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide
CID 55380926
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9220094

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 55380895) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)ccc1OC(F)F.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is FOSMDNVKCLVDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-10(16-22-12-5-3-4-6-13(12)23-16)21-17(24)11-7-8-14(26-18(19)20)15(9-11)25-2/h3-10,18H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 361.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 55380895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).