[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone

C17H19N5O — CID 25287592

IUPAC[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)N2CCCC2)n[nH]1
InChIInChI=1S/C17H19N5O/c1-12-18-14-6-2-3-7-16(14)22(12)11-13-10-15(20-19-13)17(23)21-8-4-5-9-21/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,19,20)
InChIKeyNXSSTYMKHIOQGS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.35
Rot. Bonds3

About [5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone

[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 25287592) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is [5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID25287592
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)N2CCCC2)n[nH]1
InChIInChI=1S/C17H19N5O/c1-12-18-14-6-2-3-7-16(14)22(12)11-13-10-15(20-19-13)17(23)21-8-4-5-9-21/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,19,20)
InChIKeyNXSSTYMKHIOQGS-UHFFFAOYSA-N
XLogP2.35
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone
CID 45200535
azepan-1-yl-(5-benzyl-1H-pyrazol-3-yl)methanone
CID 169082729
5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 39459014
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 87021241
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 37263896
5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 78862508
(2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 92612508
[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 42196638
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
(2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 112528001
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 94640308
2-[4-(5-ethyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78870643

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 25287592) is [5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone is Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCCC2)n[nH]1.
What is the InChIKey of [5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NXSSTYMKHIOQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-18-14-6-2-3-7-16(14)22(12)11-13-10-15(20-19-13)17(23)21-8-4-5-9-21/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,19,20).
What are the key properties of [5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 309.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25287592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).