(2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide

C35H45N5O2S — CID 148799775

IUPAC(2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
SMILESCCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)CC(CC(C)C)C(=O)NC3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C35H45N5O2S/c1-5-28(6-2)40-31-13-12-25(21-30(31)38-34(40)23-29-10-9-19-43-29)32(41)22-26(20-24(3)4)35(42)37-27-14-17-39(18-15-27)33-11-7-8-16-36-33/h7-13,16,19,21,24,26-28H,5-6,14-15,17-18,20,22-23H2,1-4H3,(H,37,42)
InChIKeyONUMIRXLJSNUFC-UHFFFAOYSA-N
MW599.85 g/mol
LogP7.47
Rot. Bonds13

About (2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide

(2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide (PubChem CID 148799775) has the molecular formula C35H45N5O2S and a molecular weight of 599.85 g/mol. Its IUPAC name is (2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
PubChem CID148799775
Molecular FormulaC35H45N5O2S
Molecular Weight599.85 g/mol
Exact Mass599.33
IUPAC Name(2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
SMILESCCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)CC(CC(C)C)C(=O)NC3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C35H45N5O2S/c1-5-28(6-2)40-31-13-12-25(21-30(31)38-34(40)23-29-10-9-19-43-29)32(41)22-26(20-24(3)4)35(42)37-27-14-17-39(18-15-27)33-11-7-8-16-36-33/h7-13,16,19,21,24,26-28H,5-6,14-15,17-18,20,22-23H2,1-4H3,(H,37,42)
InChIKeyONUMIRXLJSNUFC-UHFFFAOYSA-N
XLogP7.47
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.85
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide with MolForge

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Related Compounds

HI-Topk-032
CID 1936439
N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11237786
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 11489351
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 25190527
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrazin-2-yl)thiophene-2-carboxamide
CID 25190535
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-fluoropyridin-4-yl)thiophene-2-carboxamide
CID 25190541
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-fluoropyridin-3-yl)thiophene-2-carboxamide
CID 25190543
N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
5-(2-amino-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277647
5-[2-(methylamino)-4-pyridinyl]-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277654
2-Aminobenzimidazole with trans-stilbene, 8x
CID 25169253

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide?
The IUPAC name of (2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide (CID 148799775) is (2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide.
What is the SMILES notation for (2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide?
The canonical SMILES for (2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide is CCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)CC(CC(C)C)C(=O)NC3CCN(c4ccccn4)CC3)ccc21.
What is the InChIKey of (2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide?
The InChIKey is ONUMIRXLJSNUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N5O2S/c1-5-28(6-2)40-31-13-12-25(21-30(31)38-34(40)23-29-10-9-19-43-29)32(41)22-26(20-24(3)4)35(42)37-27-14-17-39(18-15-27)33-11-7-8-16-36-33/h7-13,16,19,21,24,26-28H,5-6,14-15,17-18,20,22-23H2,1-4H3,(H,37,42).
What are the key properties of (2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide?
(2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide has a molecular weight of 599.85 g/mol, XLogP of 7.47, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[2-oxo-2-[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]ethyl]-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 148799775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).