[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

C20H25N5O2 — CID 45180798

IUPAC[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc(Cn3cnc4cc(C)c(C)cc43)[nH]n2)C1
InChIInChI=1S/C20H25N5O2/c1-13-6-17-19(7-14(13)2)25(12-21-17)10-16-8-18(23-22-16)20(26)24-5-4-15(9-24)11-27-3/h6-8,12,15H,4-5,9-11H2,1-3H3,(H,22,23)
InChIKeyAMTCZKCEBQTQSF-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.53
Rot. Bonds5

About [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 45180798) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID45180798
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc(Cn3cnc4cc(C)c(C)cc43)[nH]n2)C1
InChIInChI=1S/C20H25N5O2/c1-13-6-17-19(7-14(13)2)25(12-21-17)10-16-8-18(23-22-16)20(26)24-5-4-15(9-24)11-27-3/h6-8,12,15H,4-5,9-11H2,1-3H3,(H,22,23)
InChIKeyAMTCZKCEBQTQSF-UHFFFAOYSA-N
XLogP2.53
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 42196638
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42196298
[5-(benzimidazol-1-ylmethyl)-1H-pyrazol-3-yl]-(4-methoxy-4-prop-2-enylpiperidin-1-yl)methanone
CID 56747334
4-[[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95889323
4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70764751
5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 25282402
[3-(aminomethyl)pyrrolidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 119486615
5-(benzimidazol-1-ylmethyl)-N-ethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95221587
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56879058
3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 167774503
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112705975
(3-bromo-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 79465138

Frequently Asked Questions

What is the IUPAC name of [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 45180798) is [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCN(C(=O)c2cc(Cn3cnc4cc(C)c(C)cc43)[nH]n2)C1.
What is the InChIKey of [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is AMTCZKCEBQTQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-6-17-19(7-14(13)2)25(12-21-17)10-16-8-18(23-22-16)20(26)24-5-4-15(9-24)11-27-3/h6-8,12,15H,4-5,9-11H2,1-3H3,(H,22,23).
What are the key properties of [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 45180798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).