(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide

C23H32N6O — CID 92589506

IUPAC(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide
SMILESCCc1nccn1C[C@H](C)C(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C
InChIInChI=1S/C23H32N6O/c1-4-21-24-10-13-29(21)15-17(2)23(30)25-18-8-9-20-19(14-18)26-22(27(20)3)16-28-11-6-5-7-12-28/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3,(H,25,30)/t17-/m0/s1
InChIKeyZAZPOARNEPQWMY-KRWDZBQOSA-N
MW408.55 g/mol
LogP3.59
Rot. Bonds7

About (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide

(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide (PubChem CID 92589506) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide
PubChem CID92589506
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide
SMILESCCc1nccn1C[C@H](C)C(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C
InChIInChI=1S/C23H32N6O/c1-4-21-24-10-13-29(21)15-17(2)23(30)25-18-8-9-20-19(14-18)26-22(27(20)3)16-28-11-6-5-7-12-28/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3,(H,25,30)/t17-/m0/s1
InChIKeyZAZPOARNEPQWMY-KRWDZBQOSA-N
XLogP3.59
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide
CID 92589504
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 17236024
1-ethyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 46972152
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide
CID 46972380
2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611212
6-ethyl-5-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 46968531
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236030

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide?
The IUPAC name of (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide (CID 92589506) is (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide.
What is the SMILES notation for (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide?
The canonical SMILES for (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide is CCc1nccn1C[C@H](C)C(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C.
What is the InChIKey of (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide?
The InChIKey is ZAZPOARNEPQWMY-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H32N6O/c1-4-21-24-10-13-29(21)15-17(2)23(30)25-18-8-9-20-19(14-18)26-22(27(20)3)16-28-11-6-5-7-12-28/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3,(H,25,30)/t17-/m0/s1.
What are the key properties of (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide?
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide has a molecular weight of 408.55 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide is sourced from PubChem (CID 92589506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).