N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide

C22H23N5O2 — CID 35176965

IUPACN-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide
SMILESCOCCn1c(Cn2cccn2)nc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C22H23N5O2/c1-16-4-6-17(7-5-16)22(28)24-18-8-9-20-19(14-18)25-21(27(20)12-13-29-2)15-26-11-3-10-23-26/h3-11,14H,12-13,15H2,1-2H3,(H,24,28)
InChIKeyFGAALOQOEZQRJU-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.49
Rot. Bonds7

About N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide

N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide (PubChem CID 35176965) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide
PubChem CID35176965
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide
SMILESCOCCn1c(Cn2cccn2)nc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C22H23N5O2/c1-16-4-6-17(7-5-16)22(28)24-18-8-9-20-19(14-18)25-21(27(20)12-13-29-2)15-26-11-3-10-23-26/h3-11,14H,12-13,15H2,1-2H3,(H,24,28)
InChIKeyFGAALOQOEZQRJU-UHFFFAOYSA-N
XLogP3.49
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-nitrobenzamide
CID 35176976
N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide
CID 35176961
N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 46263440
N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide
CID 46263421
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
4-methyl-N-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]benzamide
CID 46260906
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
CID 4888721
N-(1-ethyl-2-methylbenzimidazol-5-yl)-2-pyrazol-1-ylacetamide
CID 46981380
N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 86921797
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid
CID 61460804

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide?
The IUPAC name of N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide (CID 35176965) is N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide is COCCn1c(Cn2cccn2)nc2cc(NC(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide?
The InChIKey is FGAALOQOEZQRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16-4-6-17(7-5-16)22(28)24-18-8-9-20-19(14-18)25-21(27(20)12-13-29-2)15-26-11-3-10-23-26/h3-11,14H,12-13,15H2,1-2H3,(H,24,28).
What are the key properties of N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide?
N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 35176965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).