N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide

C19H25N5O2 — CID 35176961

IUPACN-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide
SMILESCOCCn1c(Cn2cccn2)nc2cc(NC(=O)CC(C)C)ccc21
InChIInChI=1S/C19H25N5O2/c1-14(2)11-19(25)21-15-5-6-17-16(12-15)22-18(24(17)9-10-26-3)13-23-8-4-7-20-23/h4-8,12,14H,9-11,13H2,1-3H3,(H,21,25)
InChIKeyNODQNEKTKFJXEY-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.91
Rot. Bonds8

About N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide

N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide (PubChem CID 35176961) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide
PubChem CID35176961
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide
SMILESCOCCn1c(Cn2cccn2)nc2cc(NC(=O)CC(C)C)ccc21
InChIInChI=1S/C19H25N5O2/c1-14(2)11-19(25)21-15-5-6-17-16(12-15)22-18(24(17)9-10-26-3)13-23-8-4-7-20-23/h4-8,12,14H,9-11,13H2,1-3H3,(H,21,25)
InChIKeyNODQNEKTKFJXEY-UHFFFAOYSA-N
XLogP2.91
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.91
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]-4-methylbenzamide
CID 35176965
N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-nitrobenzamide
CID 35176976
N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 46263440
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide
CID 17235994
N-(1-ethyl-2-methylbenzimidazol-5-yl)-2-pyrazol-1-ylacetamide
CID 46981380
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide
CID 90488214
ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761610
3-methyl-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 50745125
2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39673621
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]propanamide
CID 23611201
3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide
CID 46270387

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide?
The IUPAC name of N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide (CID 35176961) is N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide is COCCn1c(Cn2cccn2)nc2cc(NC(=O)CC(C)C)ccc21.
What is the InChIKey of N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide?
The InChIKey is NODQNEKTKFJXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(2)11-19(25)21-15-5-6-17-16(12-15)22-18(24(17)9-10-26-3)13-23-8-4-7-20-23/h4-8,12,14H,9-11,13H2,1-3H3,(H,21,25).
What are the key properties of N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide?
N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide has a molecular weight of 355.44 g/mol, XLogP of 2.91, 8 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]-3-methylbutanamide is sourced from PubChem (CID 35176961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).