2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole

C16H19N5 — CID 125141302

IUPAC2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole
SMILESCc1cc([C@H]2CCCN(c3nc4ccccc4[nH]3)C2)n[nH]1
InChIInChI=1S/C16H19N5/c1-11-9-15(20-19-11)12-5-4-8-21(10-12)16-17-13-6-2-3-7-14(13)18-16/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyALEACXNXMINFCW-LBPRGKRZSA-N
MW281.36 g/mol
LogP2.98
Rot. Bonds2

About 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole

2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole (PubChem CID 125141302) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole
PubChem CID125141302
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole
SMILESCc1cc([C@H]2CCCN(c3nc4ccccc4[nH]3)C2)n[nH]1
InChIInChI=1S/C16H19N5/c1-11-9-15(20-19-11)12-5-4-8-21(10-12)16-17-13-6-2-3-7-14(13)18-16/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChIKeyALEACXNXMINFCW-LBPRGKRZSA-N
XLogP2.98
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 60978845
1-methyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 71926955
2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 71926991
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
6-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 125141410
2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136898181
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole (CID 125141302) is 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole is Cc1cc([C@H]2CCCN(c3nc4ccccc4[nH]3)C2)n[nH]1.
What is the InChIKey of 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole?
The InChIKey is ALEACXNXMINFCW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-9-15(20-19-11)12-5-4-8-21(10-12)16-17-13-6-2-3-7-14(13)18-16/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,17,18)(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole?
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole has a molecular weight of 281.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 125141302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).