N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide

C18H19N3O3 — CID 2156760

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C18H19N3O3/c1-11(17-20-13-6-4-5-7-14(13)21-17)19-18(22)12-8-9-15(23-2)16(10-12)24-3/h4-11H,1-3H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKeyMCCPCKWOSOLPSH-LLVKDONJSA-N
MW325.37 g/mol
LogP3.07
Rot. Bonds5

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 2156760) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
PubChem CID2156760
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C18H19N3O3/c1-11(17-20-13-6-4-5-7-14(13)21-17)19-18(22)12-8-9-15(23-2)16(10-12)24-3/h4-11H,1-3H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKeyMCCPCKWOSOLPSH-LLVKDONJSA-N
XLogP3.07
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55380895
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 55380856
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18116503
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-ethoxy-4-methoxybenzamide
CID 55814527
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide
CID 55380926
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759959
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55862157
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 73419906

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide (CID 2156760) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is MCCPCKWOSOLPSH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(17-20-13-6-4-5-7-14(13)21-17)19-18(22)12-8-9-15(23-2)16(10-12)24-3/h4-11H,1-3H3,(H,19,22)(H,20,21)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 325.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 2156760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).