2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid

C19H21N5O3 — CID 56721249

IUPAC2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
SMILESCc1nc2c(C(=O)N3CCC(c4cc(CC(=O)O)[nH]n4)CC3)cccc2[nH]1
InChIInChI=1S/C19H21N5O3/c1-11-20-15-4-2-3-14(18(15)21-11)19(27)24-7-5-12(6-8-24)16-9-13(22-23-16)10-17(25)26/h2-4,9,12H,5-8,10H2,1H3,(H,20,21)(H,22,23)(H,25,26)
InChIKeyJMLZOECQVZXMQL-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.24
Rot. Bonds4

About 2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid

2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid (PubChem CID 56721249) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
PubChem CID56721249
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
SMILESCc1nc2c(C(=O)N3CCC(c4cc(CC(=O)O)[nH]n4)CC3)cccc2[nH]1
InChIInChI=1S/C19H21N5O3/c1-11-20-15-4-2-3-14(18(15)21-11)19(27)24-7-5-12(6-8-24)16-9-13(22-23-16)10-17(25)26/h2-4,9,12H,5-8,10H2,1H3,(H,20,21)(H,22,23)(H,25,26)
InChIKeyJMLZOECQVZXMQL-UHFFFAOYSA-N
XLogP2.24
TPSA114.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[1-(2,8-dimethylquinoline-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56710759
2-[3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 118782975
4-ethyl-2-methyl-5-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56717417
2-[3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56711368
2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56710651
(2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone
CID 154833724
(2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110701045
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701031
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701048
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 72907250
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701020
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 56716769

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
The IUPAC name of 2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid (CID 56721249) is 2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid is Cc1nc2c(C(=O)N3CCC(c4cc(CC(=O)O)[nH]n4)CC3)cccc2[nH]1.
What is the InChIKey of 2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
The InChIKey is JMLZOECQVZXMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-20-15-4-2-3-14(18(15)21-11)19(27)24-7-5-12(6-8-24)16-9-13(22-23-16)10-17(25)26/h2-4,9,12H,5-8,10H2,1H3,(H,20,21)(H,22,23)(H,25,26).
What are the key properties of 2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid?
2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid has a molecular weight of 367.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid is sourced from PubChem (CID 56721249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).