N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide

C25H30N6O2S — CID 44573502

IUPACN-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
SMILESCC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C25H30N6O2S/c1-25(2,33)16-31-20-7-6-17(15-30-10-4-3-5-11-30)12-19(20)28-24(31)29-23(32)22-9-8-21(34-22)18-13-26-27-14-18/h6-9,12-14,33H,3-5,10-11,15-16H2,1-2H3,(H,26,27)(H,28,29,32)
InChIKeyGOIGYVCVLJOCLG-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.50
Rot. Bonds7

About N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide

N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 44573502) has the molecular formula C25H30N6O2S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
PubChem CID44573502
Molecular FormulaC25H30N6O2S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC NameN-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
SMILESCC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C25H30N6O2S/c1-25(2,33)16-31-20-7-6-17(15-30-10-4-3-5-11-30)12-19(20)28-24(31)29-23(32)22-9-8-21(34-22)18-13-26-27-14-18/h6-9,12-14,33H,3-5,10-11,15-16H2,1-2H3,(H,26,27)(H,28,29,32)
InChIKeyGOIGYVCVLJOCLG-UHFFFAOYSA-N
XLogP4.50
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 44573503
N-[1-(2-hydroxy-2-methylpropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 91174971
N-[5-ethyl-3-(3-hydroxy-3-methylbutyl)-6,7-dioxo-8H-imidazo[4,5-g]quinoxalin-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 71768924
N-[1-(3-amino-3-oxopropyl)-5-[[hydroxy(phenyl)methyl]-methylamino]benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 144846098
N-[5-[[[(2S)-6-[4-[5-[[2-[[4-[(3,3-dimethylbutan-2-ylamino)methyl]benzoyl]amino]-1,3-thiazol-5-yl]sulfanylmethyl]-2,3-dimethylbenzoyl]piperazin-1-yl]-3,3-dimethyl-6-oxohexan-2-yl]amino]methyl]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 144857730
N-[5-[(3-cyanobenzoyl)-methylamino]-1-(2-hydroxyethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 143094243
N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447719
N-[1-[[1-[(Z)-2-cyano-4-methyl-4-morpholin-4-ylpent-2-enoyl]pyrrolidin-2-yl]methyl]benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 134447421
N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide
CID 172541799
N-[1-(2-hydroxy-2-methylpropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 91201943
N-[5-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
CID 139447725
N-[5-(morpholin-4-ylmethyl)-1-[(4R)-1-prop-2-enoylazepan-4-yl]benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 139441044

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide (CID 44573502) is N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide is CC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(CN3CCCCC3)ccc21.
What is the InChIKey of N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is GOIGYVCVLJOCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2S/c1-25(2,33)16-31-20-7-6-17(15-30-10-4-3-5-11-30)12-19(20)28-24(31)29-23(32)22-9-8-21(34-22)18-13-26-27-14-18/h6-9,12-14,33H,3-5,10-11,15-16H2,1-2H3,(H,26,27)(H,28,29,32).
What are the key properties of N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 44573502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).