1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide

C23H32N6O — CID 46972152

IUPAC1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C
InChIInChI=1S/C23H32N6O/c1-5-29-21(14-18(26-29)16(2)3)23(30)24-17-9-10-20-19(13-17)25-22(27(20)4)15-28-11-7-6-8-12-28/h9-10,13-14,16H,5-8,11-12,15H2,1-4H3,(H,24,30)
InChIKeySPGUMXWNSXCQPC-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.15
Rot. Bonds6

About 1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 46972152) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID46972152
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C
InChIInChI=1S/C23H32N6O/c1-5-29-21(14-18(26-29)16(2)3)23(30)24-17-9-10-20-19(13-17)25-22(27(20)4)15-28-11-7-6-8-12-28/h9-10,13-14,16H,5-8,11-12,15H2,1-4H3,(H,24,30)
InChIKeySPGUMXWNSXCQPC-UHFFFAOYSA-N
XLogP4.15
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide with MolForge

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Related Compounds

N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide
CID 46972380
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 46968531
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 92589506
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 17236024
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
4-fluoro-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]benzamide
CID 53207572
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide (CID 46972152) is 1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C.
What is the InChIKey of 1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is SPGUMXWNSXCQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-5-29-21(14-18(26-29)16(2)3)23(30)24-17-9-10-20-19(13-17)25-22(27(20)4)15-28-11-7-6-8-12-28/h9-10,13-14,16H,5-8,11-12,15H2,1-4H3,(H,24,30).
What are the key properties of 1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 46972152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).