2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole

C25H29N5 — CID 92626653

IUPAC2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole
SMILESCc1c(CN2CCC[C@H](c3nc4ccccc4n3C)C2)c(-c2ccccc2)nn1C
InChIInChI=1S/C25H29N5/c1-18-21(24(27-29(18)3)19-10-5-4-6-11-19)17-30-15-9-12-20(16-30)25-26-22-13-7-8-14-23(22)28(25)2/h4-8,10-11,13-14,20H,9,12,15-17H2,1-3H3/t20-/m0/s1
InChIKeyBPJQRRXOUOMDKO-FQEVSTJZSA-N
MW399.54 g/mol
LogP4.66
Rot. Bonds4

About 2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole

2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole (PubChem CID 92626653) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole
PubChem CID92626653
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole
SMILESCc1c(CN2CCC[C@H](c3nc4ccccc4n3C)C2)c(-c2ccccc2)nn1C
InChIInChI=1S/C25H29N5/c1-18-21(24(27-29(18)3)19-10-5-4-6-11-19)17-30-15-9-12-20(16-30)25-26-22-13-7-8-14-23(22)28(25)2/h4-8,10-11,13-14,20H,9,12,15-17H2,1-3H3/t20-/m0/s1
InChIKeyBPJQRRXOUOMDKO-FQEVSTJZSA-N
XLogP4.66
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[(3R)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 93242499
2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 99928263
1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole
CID 131902621
1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 92626009
1-methyl-2-[1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 46976754
2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 99950414
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
4-[[3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75615869
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 92626417
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
2-[(3R)-1-[(3,5-difluorophenyl)methylsulfonyl]piperidin-3-yl]-1-methylbenzimidazole
CID 92626585
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 92626423

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole?
The IUPAC name of 2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole (CID 92626653) is 2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole is Cc1c(CN2CCC[C@H](c3nc4ccccc4n3C)C2)c(-c2ccccc2)nn1C.
What is the InChIKey of 2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole?
The InChIKey is BPJQRRXOUOMDKO-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H29N5/c1-18-21(24(27-29(18)3)19-10-5-4-6-11-19)17-30-15-9-12-20(16-30)25-26-22-13-7-8-14-23(22)28(25)2/h4-8,10-11,13-14,20H,9,12,15-17H2,1-3H3/t20-/m0/s1.
What are the key properties of 2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole?
2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole has a molecular weight of 399.54 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole is sourced from PubChem (CID 92626653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).