2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide

C20H26N6O — CID 1091784

IUPAC2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1nc2ccccc2n1CCN1CCCCC1
InChIInChI=1S/C20H26N6O/c1-2-26-18(10-11-21-26)19(27)23-20-22-16-8-4-5-9-17(16)25(20)15-14-24-12-6-3-7-13-24/h4-5,8-11H,2-3,6-7,12-15H2,1H3,(H,22,23,27)
InChIKeyBWDUDGVXDSQFRF-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.99
Rot. Bonds6

About 2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide

2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide (PubChem CID 1091784) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
PubChem CID1091784
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1nc2ccccc2n1CCN1CCCCC1
InChIInChI=1S/C20H26N6O/c1-2-26-18(10-11-21-26)19(27)23-20-22-16-8-4-5-9-17(16)25(20)15-14-24-12-6-3-7-13-24/h4-5,8-11H,2-3,6-7,12-15H2,1H3,(H,22,23,27)
InChIKeyBWDUDGVXDSQFRF-UHFFFAOYSA-N
XLogP2.99
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-methyl-1H-pyrazole-5-carboxamide
CID 23644671
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 23646206
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 71288499
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 51000508
2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122196065
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-[[(3R)-piperidin-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122196174
2-[[(3R)-azepan-3-yl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122196178
2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-chloro-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122196180
2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-cyano-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122196247

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide (CID 1091784) is 2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1nc2ccccc2n1CCN1CCCCC1.
What is the InChIKey of 2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is BWDUDGVXDSQFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-2-26-18(10-11-21-26)19(27)23-20-22-16-8-4-5-9-17(16)25(20)15-14-24-12-6-3-7-13-24/h4-5,8-11H,2-3,6-7,12-15H2,1H3,(H,22,23,27).
What are the key properties of 2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide?
2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 1091784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).